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Li Yuan's second week work

This is a set of basic examples of the usage and outputs of the various individual functions included in. There are generally three types of functions:

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  • Functions that perform searches and return lists of PDB IDs
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  • Functions that get information about specific PDB IDs
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  • Other general-purpose lookup functions
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The list of supported search types, as well as the different types of information that can be returned for a given PDB ID, is large (and growing) and is enumerated in the docstrings of pypdb.py. The PDB allows a very wide range of different types of queries, and so any option that is not currently available can likely be implemented based on the structure of the query types that have already been implemented. Please submit feedback and pull requests on GitHub.

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I didn't find any funcion in that package pypdb we can use to extract seqres and atom, so I only use get_pdb_file() function from that package to get the file and write my own function to do that.

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Preamble

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We import this package pypdb and prepare some other things.

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In [3]:
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%pylab inline
-from IPython.display import HTML
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-## Import from local directory
-import sys
-sys.path.insert(0, '../pypdb')
-from pypdb import *
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-## Import from installed package
-# from pypdb import *
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-import pprint
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-%load_ext autoreload
-%autoreload 2
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Populating the interactive namespace from numpy and matplotlib
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This function I wrote is to extract only the seqres as a list

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In [4]:
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def get_seqres(pdb_id):
-    """ Return the seqres sequence of a pdb file
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-    >>> get_seqres('4Z0L')
-    >>> get_seqres('4lza')
-    """
-    pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False) 
-    # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'.
-    file1 = pdb_file.splitlines()
-    # split this long string into list by \n.
-    list_se = []
-    for line in file1:
-        if line[:6] == "SEQRES":
-            list_se.append(line)
-    return(list_se)
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In [5]:
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get_seqres('4lza')[:20]
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Out[5]:
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['SEQRES   1 A  195  MSE HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU          ',
- 'SEQRES   2 A  195  GLY THR GLU ASN LEU TYR PHE GLN SER MSE THR LEU GLU          ',
- 'SEQRES   3 A  195  GLU ILE LYS MSE MSE ILE ARG GLU ILE PRO ASP PHE PRO          ',
- 'SEQRES   4 A  195  LYS LYS GLY ILE LYS PHE LYS ASP ILE THR PRO VAL LEU          ',
- 'SEQRES   5 A  195  LYS ASP ALA LYS ALA PHE ASN TYR SER ILE GLU MSE LEU          ',
- 'SEQRES   6 A  195  ALA LYS ALA LEU GLU GLY ARG LYS PHE ASP LEU ILE ALA          ',
- 'SEQRES   7 A  195  ALA PRO GLU ALA ARG GLY PHE LEU PHE GLY ALA PRO LEU          ',
- 'SEQRES   8 A  195  ALA TYR ARG LEU GLY VAL GLY PHE VAL PRO VAL ARG LYS          ',
- 'SEQRES   9 A  195  PRO GLY LYS LEU PRO ALA GLU THR LEU SER TYR GLU TYR          ',
- 'SEQRES  10 A  195  GLU LEU GLU TYR GLY THR ASP SER LEU GLU ILE HIS LYS          ',
- 'SEQRES  11 A  195  ASP ALA VAL LEU GLU GLY GLN ARG VAL VAL ILE VAL ASP          ',
- 'SEQRES  12 A  195  ASP LEU LEU ALA THR GLY GLY THR ILE TYR ALA SER ALA          ',
- 'SEQRES  13 A  195  LYS LEU VAL GLU SER LEU GLY GLY ILE VAL ASP SER ILE          ',
- 'SEQRES  14 A  195  ILE PHE LEU THR GLU LEU THR PHE LEU ASP GLY ARG LYS          ',
- 'SEQRES  15 A  195  LYS LEU ASP GLY TYR ASP ILE ILE SER LEU ILE LYS PHE          ',
- 'SEQRES   1 B  195  MSE HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU          ',
- 'SEQRES   2 B  195  GLY THR GLU ASN LEU TYR PHE GLN SER MSE THR LEU GLU          ',
- 'SEQRES   3 B  195  GLU ILE LYS MSE MSE ILE ARG GLU ILE PRO ASP PHE PRO          ',
- 'SEQRES   4 B  195  LYS LYS GLY ILE LYS PHE LYS ASP ILE THR PRO VAL LEU          ',
- 'SEQRES   5 B  195  LYS ASP ALA LYS ALA PHE ASN TYR SER ILE GLU MSE LEU          ']
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In [6]:
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get_seqres('4Z0L')[:20]
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Out[6]:
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['SEQRES   1 A  587  ALA ASN PRO CYS CYS SER ASN PRO CYS GLN ASN ARG GLY          ',
- 'SEQRES   2 A  587  GLU CYS MET SER THR GLY PHE ASP GLN TYR LYS CYS ASP          ',
- 'SEQRES   3 A  587  CYS THR ARG THR GLY PHE TYR GLY GLU ASN CYS THR THR          ',
- 'SEQRES   4 A  587  PRO GLU PHE LEU THR ARG ILE LYS LEU LEU LEU LYS PRO          ',
- 'SEQRES   5 A  587  THR PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS          ',
- 'SEQRES   6 A  587  GLY VAL TRP ASN ILE VAL ASN ASN ILE PRO PHE LEU ARG          ',
- 'SEQRES   7 A  587  SER LEU ILE MET LYS TYR VAL LEU THR SER ARG SER TYR          ',
- 'SEQRES   8 A  587  LEU ILE ASP SER PRO PRO THR TYR ASN VAL HIS TYR GLY          ',
- 'SEQRES   9 A  587  TYR LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR          ',
- 'SEQRES  10 A  587  THR ARG ALA LEU PRO PRO VAL ALA ASP ASP CYS PRO THR          ',
- 'SEQRES  11 A  587  PRO MET GLY VAL LYS GLY ASN LYS GLU LEU PRO ASP SER          ',
- 'SEQRES  12 A  587  LYS GLU VAL LEU GLU LYS VAL LEU LEU ARG ARG GLU PHE          ',
- 'SEQRES  13 A  587  ILE PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE          ',
- 'SEQRES  14 A  587  PHE ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP          ',
- 'SEQRES  15 A  587  HIS LYS ARG GLY PRO GLY PHE THR ARG GLY LEU GLY HIS          ',
- 'SEQRES  16 A  587  GLY VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ASP          ',
- 'SEQRES  17 A  587  ARG GLN HIS LYS LEU ARG LEU PHE LYS ASP GLY LYS LEU          ',
- 'SEQRES  18 A  587  LYS TYR GLN VAL ILE GLY GLY GLU VAL TYR PRO PRO THR          ',
- 'SEQRES  19 A  587  VAL LYS ASP THR GLN VAL GLU MET ILE TYR PRO PRO HIS          ',
- 'SEQRES  20 A  587  ILE PRO GLU ASN LEU GLN PHE ALA VAL GLY GLN GLU VAL          ']
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This function I wrote is to extract only the atom sequence as a list

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In [7]:
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def get_atom(pdb_id):
-    """ Return the atom sequence of a pdb file
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-    >>> get_atom('4Z0L')
-    >>> get_atom('4lza')
-    """
-    pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False)
-    # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'.
-    file1 = pdb_file.splitlines()
-    list_atom = []
-    for line in file1:
-        if line[:4] == "ATOM":
-            list_atom.append(line)
-    return(list_atom)
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In [8]:
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get_atom('4Z0L')[:10]
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Out[8]:
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['ATOM      1  N   ALA A  33     113.744  17.524  85.910  1.00 75.99           N  ',
- 'ATOM      2  CA  ALA A  33     114.749  17.116  86.884  1.00 76.70           C  ',
- 'ATOM      3  C   ALA A  33     115.677  18.275  87.231  1.00 73.52           C  ',
- 'ATOM      4  O   ALA A  33     116.176  18.367  88.354  1.00 75.48           O  ',
- 'ATOM      5  CB  ALA A  33     115.548  15.934  86.358  1.00 78.19           C  ',
- 'ATOM      6  N   ASN A  34     115.906  19.154  86.261  1.00 67.98           N  ',
- 'ATOM      7  CA  ASN A  34     116.747  20.327  86.469  1.00 63.43           C  ',
- 'ATOM      8  C   ASN A  34     116.113  21.264  87.492  1.00 60.58           C  ',
- 'ATOM      9  O   ASN A  34     115.006  21.756  87.287  1.00 61.30           O  ',
- 'ATOM     10  CB  ASN A  34     116.983  21.058  85.144  1.00 63.09           C  ']
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In [9]:
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get_atom('4lza')[:10]
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Out[9]:
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['ATOM      1  N   THR A   0     -27.785   5.217 -21.426  1.00 50.53           N  ',
- 'ATOM      2  CA  THR A   0     -27.459   5.049 -19.974  1.00 49.41           C  ',
- 'ATOM      3  C   THR A   0     -25.949   5.130 -19.667  1.00 46.13           C  ',
- 'ATOM      4  O   THR A   0     -25.572   5.789 -18.699  1.00 44.22           O  ',
- 'ATOM      5  CB  THR A   0     -28.153   3.815 -19.346  1.00 51.85           C  ',
- 'ATOM      6  OG1 THR A   0     -27.919   3.787 -17.932  1.00 52.21           O  ',
- 'ATOM      7  CG2 THR A   0     -27.688   2.516 -19.989  1.00 53.52           C  ',
- 'ATOM      8  N   LEU A   1     -25.087   4.511 -20.480  1.00 43.20           N  ',
- 'ATOM      9  CA  LEU A   1     -23.681   4.942 -20.481  1.00 42.39           C  ',
- 'ATOM     10  C   LEU A   1     -23.615   6.356 -21.059  1.00 43.21           C  ']
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Li Yuan's third week work

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We first used pandas to convert a list into dataframe

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First we used split() to split each string in the list returned by get_atom() function

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In [10]:
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import pandas as pd
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def get_atom(pdb_id):
-    """ Return the atom sequence of a pdb file as a pandas dataframe
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-    >>> get_atom('4Z0L')
-    >>> get_atom('4lza')
-    """
-    pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False)
-    # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'.
-    file1 = pdb_file.splitlines()
-    list_atom = []
-    for line in file1:
-        if line[:4] == "ATOM":
-            list_atom.append(line)
-    list_s_atom = [s.split() for s in list_atom]
-    # split each string in a list by white spaces
-    df = pd.DataFrame(list_s_atom)
-    # use DataFrame function to convert a list to dataframe
-    df["id"] = pdb_id
-    # add one id column to exsiting dataframe
-    return(df)
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get_atom("4lza").head(11)
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Out[12]:
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01234567891011id
0ATOM1NTHRA0-27.7855.217-21.4261.0050.53N4lza
1ATOM2CATHRA0-27.4595.049-19.9741.0049.41C4lza
2ATOM3CTHRA0-25.9495.130-19.6671.0046.13C4lza
3ATOM4OTHRA0-25.5725.789-18.6991.0044.22O4lza
4ATOM5CBTHRA0-28.1533.815-19.3461.0051.85C4lza
5ATOM6OG1THRA0-27.9193.787-17.9321.0052.21O4lza
6ATOM7CG2THRA0-27.6882.516-19.9891.0053.52C4lza
7ATOM8NLEUA1-25.0874.511-20.4801.0043.20N4lza
8ATOM9CALEUA1-23.6814.942-20.4811.0042.39C4lza
9ATOM10CLEUA1-23.6156.356-21.0591.0043.21C4lza
10ATOM11OLEUA1-22.7387.137-20.6881.0041.35O4lza
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Second we want to put a couple of pdb entries into one dataframe.

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def get_some_atom(L):
-    """ Take a list with returning some atom parts of pdb files into one dataframe 
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-    >>> get_some_atom(["4lza", "4Z0L"])
-    """
-    frames = [get_atom(l) for l in L]
-    return(pd.concat(frames))
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We test this function with a list ["4lza", "4Z0L]

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In [31]:
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get_some_atom(["4lza", "4Z0L"])
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Out[31]:
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01234567891011id
0ATOM1NTHRA0-27.7855.217-21.4261.0050.53N4lza
1ATOM2CATHRA0-27.4595.049-19.9741.0049.41C4lza
2ATOM3CTHRA0-25.9495.130-19.6671.0046.13C4lza
3ATOM4OTHRA0-25.5725.789-18.6991.0044.22O4lza
4ATOM5CBTHRA0-28.1533.815-19.3461.0051.85C4lza
5ATOM6OG1THRA0-27.9193.787-17.9321.0052.21O4lza
6ATOM7CG2THRA0-27.6882.516-19.9891.0053.52C4lza
7ATOM8NLEUA1-25.0874.511-20.4801.0043.20N4lza
8ATOM9CALEUA1-23.6814.942-20.4811.0042.39C4lza
9ATOM10CLEUA1-23.6156.356-21.0591.0043.21C4lza
10ATOM11OLEUA1-22.7387.137-20.6881.0041.35O4lza
11ATOM12CBLEUA1-22.7434.008-21.2571.0041.94C4lza
12ATOM13CGLEUA1-21.9852.915-20.4871.0042.50C4lza
13ATOM14CD1LEUA1-21.3381.957-21.4751.0044.31C4lza
14ATOM15CD2LEUA1-20.9393.448-19.5081.0039.42C4lza
15ATOM16NGLUA2-24.5616.684-21.9501.0045.78N4lza
16ATOM17CAGLUA2-24.6868.048-22.4841.0047.90C4lza
17ATOM18CGLUA2-24.9179.038-21.3561.0043.00C4lza
18ATOM19OGLUA2-24.41910.162-21.4041.0042.03O4lza
19ATOM20CBGLUA2-25.8048.178-23.5311.0053.41C4lza
20ATOM21CGGLUA2-25.8539.566-24.1751.0060.62C4lza
21ATOM22CDGLUA2-26.6249.630-25.4881.0072.10C4lza
22ATOM23OE1GLUA2-27.1768.594-25.9271.0073.33O4lza
23ATOM24OE2GLUA2-26.67610.734-26.0861.0076.05O4lza
24ATOM25NGLUA3-25.6668.603-20.3471.0041.47N4lza
25ATOM26CAGLUA3-25.9209.409-19.1671.0043.73C4lza
26ATOM27CGLUA3-24.6449.647-18.3631.0040.11C4lza
27ATOM28OGLUA3-24.35110.791-18.0141.0039.46O4lza
28ATOM29CBGLUA3-26.9998.769-18.2941.0051.67C4lza
29ATOM30CGGLUA3-28.4209.010-18.7821.0059.54C4lza
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17862ATOM17866CSERD579117.03837.00323.1171.0043.44C4Z0L
17863ATOM17867OSERD579116.63637.79022.2601.0042.16O4Z0L
17864ATOM17868CBSERD579116.24736.94025.4941.0051.78C4Z0L
17865ATOM17869OGSERD579116.20035.52525.4651.0052.65O4Z0L
17866ATOM17870NPHED580117.25935.71822.8711.0040.53N4Z0L
17867ATOM17871CAPHED580116.94735.13821.5731.0038.81C4Z0L
17868ATOM17872CPHED580115.52934.57321.5711.0043.20C4Z0L
17869ATOM17873OPHED580115.04634.08420.5491.0042.35O4Z0L
17870ATOM17874CBPHED580117.96634.05821.2071.0035.80C4Z0L
17871ATOM17875CGPHED580119.31634.60420.8281.0036.39C4Z0L
17872ATOM17876CD1PHED580119.42535.82420.1821.0033.90C4Z0L
17873ATOM17877CD2PHED580120.47433.90321.1221.0036.79C4Z0L
17874ATOM17878CE1PHED580120.66436.33419.8311.0031.61C4Z0L
17875ATOM17879CE2PHED580121.71634.40920.7751.0033.85C4Z0L
17876ATOM17880CZPHED580121.81035.62520.1291.0031.90C4Z0L
17877ATOM17881NASND581114.86334.65122.7201.0046.01N4Z0L
17878ATOM17882CAASND581113.46734.23922.8171.0048.70C4Z0L
17879ATOM17883CASND581112.58535.33223.4161.0046.12C4Z0L
17880ATOM17884OASND581113.06836.21824.1201.0043.82O4Z0L
17881ATOM17885CBASND581113.33532.94823.6331.0055.75C4Z0L
17882ATOM17886CGASND581113.95333.05625.0151.0063.15C4Z0L
17883ATOM17887OD1ASND581114.39734.12425.4321.0069.07O4Z0L
17884ATOM17888ND2ASND581113.97731.94225.7361.0065.78N4Z0L
17885ATOM17889NVALD582111.28935.26223.1261.0046.70N4Z0L
17886ATOM17890CAVALD582110.34136.26823.5911.0043.77C4Z0L
17887ATOM17891CVALD582109.99636.08225.0661.0044.77C4Z0L
17888ATOM17892OVALD582110.05134.97025.5921.0045.92O4Z0L
17889ATOM17893CBVALD582109.03936.23922.7641.0045.04C4Z0L
17890ATOM17894CG1VALD582109.31436.64621.3231.0040.74C4Z0L
17891ATOM17895CG2VALD582108.40434.85822.8191.0047.16C4Z0L
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20524 rows × 13 columns

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Next we want to put all ids into one dataframe

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We used get_all() to list all pdb entries.

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In [15]:
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len(get_all())
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Out[15]:
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169681
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We found there was 169681 entries in the current PDB DataBase.

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We used concat() function to merge all the dataframe of each pdb entry into one huge dataframe.

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In [16]:
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frames = [get_atom(id) for id in get_all()[:2]]
-pd.concat(frames)
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Out[16]:
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- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
01234567891011id
0ATOM1O5'CA1-4.5495.0954.2621.0028.71O100D
1ATOM2C5'CA1-4.1766.3233.6461.0027.35C100D
2ATOM3C4'CA1-3.8537.4104.6721.0024.41C100D
3ATOM4O4'CA1-4.9927.6505.5121.0022.53O100D
4ATOM5C3'CA1-2.7137.0105.6051.0023.56C100D
5ATOM6O3'CA1-1.3797.1275.0601.0021.02O100D
6ATOM7C2'CA1-2.9507.9496.7561.0023.73C100D
7ATOM8O2'CA1-2.4079.2676.5541.0023.93O100D
8ATOM9C1'CA1-4.4897.9176.8251.0020.60C100D
9ATOM10N1CA1-4.9316.9027.8261.0019.25N100D
10ATOM11C2CA1-4.8387.2639.1581.0016.72C100D
11ATOM12O2CA1-4.2878.3089.5051.0015.49O100D
12ATOM13N3CA1-5.3676.44810.0851.0015.96N100D
13ATOM14C4CA1-5.9785.3109.7361.0016.84C100D
14ATOM15N4CA1-6.5924.58810.6761.0019.14N100D
15ATOM16C5CA1-6.0594.9078.3761.0017.68C100D
16ATOM17C6CA1-5.5225.7327.4611.0017.68C100D
17ATOM18PDCA2-0.1786.2205.6471.0024.85P100D
18ATOM19OP1DCA20.9156.4514.6711.0025.96O100D
19ATOM20OP2DCA2-0.9484.9545.6641.0024.57O100D
20ATOM21O5'DCA20.4356.5027.0971.0024.10O100D
21ATOM22C5'DCA21.0207.7937.2811.0019.66C100D
22ATOM23C4'DCA21.0348.1848.7381.0017.99C100D
23ATOM24O4'DCA2-0.2908.2449.2221.0017.23O100D
24ATOM25C3'DCA21.7247.1679.6171.0018.98C100D
25ATOM26O3'DCA23.1307.3959.5641.0018.39O100D
26ATOM27C2'DCA21.1527.60710.9341.0017.33C100D
27ATOM28C1'DCA2-0.2737.85310.5991.0015.44C100D
28ATOM29N1DCA2-1.0706.63510.8231.0014.48N100D
29ATOM30C2DCA2-1.4176.35512.1301.0013.03C100D
..........................................
418ATOM460N1DCB2314.63721.54122.6371.005.21N101D
419ATOM461C2DCB2315.61822.34222.0781.006.76C101D
420ATOM462O2DCB2316.70021.86621.7921.006.72O101D
421ATOM463N3DCB2315.31723.67721.9321.0010.02N101D
422ATOM464C4DCB2314.11524.23222.2501.007.10C101D
423ATOM465N4DCB2313.90425.54322.0331.000.00N101D
424ATOM466C5DCB2313.10823.37222.7771.007.82C101D
425ATOM467C6DCB2313.41422.06422.9301.004.87C101D
426ATOM468PDGB2415.96716.34724.4051.0028.28P101D
427ATOM469OP1DGB2416.20014.96423.8321.0027.79O101D
428ATOM470OP2DGB2415.04316.31225.5871.0022.79O101D
429ATOM471O5'DGB2417.29017.15924.7221.0028.58O101D
430ATOM472C5'DGB2418.24617.92023.9981.0016.71C101D
431ATOM473C4'DGB2418.91418.90724.9511.0012.60C101D
432ATOM474O4'DGB2418.37220.14724.7101.005.80O101D
433ATOM475C3'DGB2418.65418.70126.4321.0014.53C101D
434ATOM476O3'DGB2419.67817.87327.0241.0022.51O101D
435ATOM477C2'DGB2418.59320.09127.0361.0012.59C101D
436ATOM478C1'DGB2418.68120.99525.8601.008.49C101D
437ATOM479N9DGB2417.62722.01325.8221.0010.33N101D
438ATOM480C8DGB2416.31221.85426.1911.007.57C101D
439ATOM481N7DGB2415.57922.90426.0131.008.17N101D
440ATOM482C5DGB2416.46723.82425.4411.005.92C101D
441ATOM483C6DGB2416.25625.15925.0401.009.51C101D
442ATOM484O6DGB2415.19325.80525.1101.0011.38O101D
443ATOM485N1DGB2417.38025.78124.5511.009.55N101D
444ATOM486C2DGB2418.59825.14724.4361.009.22C101D
445ATOM487N2DGB2419.52025.99123.8901.000.67N101D
446ATOM488N3DGB2418.85123.87924.7801.001.61N101D
447ATOM489C4DGB2417.73423.30125.3011.007.73C101D
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856 rows × 13 columns

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We used mdtraj package to load pdb file into memory from URL

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MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories. Features include:

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  1. Wide MD format support, including pdb, xtc, trr, dcd, binpos, netcdf, mdcrd, prmtop, and more.
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  2. Extremely fast RMSD calculations (4x the speed of the original Theobald QCP).
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  3. Extensive analysis functions including those that compute bonds, angles, dihedrals, hydrogen bonds, secondary structure, and NMR observables.
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In [17]:
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import mdtraj as md # import this package
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In [18]:
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pdb = md.load_pdb("https://files.rcsb.org/view/4LZA.pdb")  # load data
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In [19]:
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print(pdb) # print to see how many frames and atoms, residues this file has 
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<mdtraj.Trajectory with 1 frames, 2833 atoms, 512 residues, and unitcells>
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We convert this pdb file into topology

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In [20]:
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topology = pdb.topology
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In [21]:
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table, bonds = topology.to_dataframe()
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In [22]:
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print(table.head(7))
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   serial name element  resSeq resName  chainID segmentID
-0       1    N       N       0     THR        0          
-1       2   CA       C       0     THR        0          
-2       3    C       C       0     THR        0          
-3       4    O       O       0     THR        0          
-4       5   CB       C       0     THR        0          
-5       6  OG1       O       0     THR        0          
-6       7  CG2       C       0     THR        0          
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In [23]:
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topology.atom(10)
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LEU1-O
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topology.atoms
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<generator object Topology.atoms at 0x7fe9cd22c390>
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In [25]:
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[i for i in topology.atoms][:10]
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[THR0-N,
- THR0-CA,
- THR0-C,
- THR0-O,
- THR0-CB,
- THR0-OG1,
- THR0-CG2,
- LEU1-N,
- LEU1-CA,
- LEU1-C]
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In [26]:
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print(table.head(10))
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   serial name element  resSeq resName  chainID segmentID
-0       1    N       N       0     THR        0          
-1       2   CA       C       0     THR        0          
-2       3    C       C       0     THR        0          
-3       4    O       O       0     THR        0          
-4       5   CB       C       0     THR        0          
-5       6  OG1       O       0     THR        0          
-6       7  CG2       C       0     THR        0          
-7       8    N       N       1     LEU        0          
-8       9   CA       C       1     LEU        0          
-9      10    C       C       1     LEU        0          
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In [27]:
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atom = pdb.atom_slice(range(2833))
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print(atom)
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<mdtraj.Trajectory with 1 frames, 2833 atoms, 512 residues, and unitcells>
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In [29]:
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atom.xyz
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Out[29]:
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array([[[-2.7785,  0.5217, -2.1426],
-        [-2.7459,  0.5049, -1.9974],
-        [-2.5949,  0.513 , -1.9667],
-        ...,
-        [-0.6332, -1.3026, -0.3481],
-        [-0.8265, -1.4563, -0.0902],
-        [-2.8824,  1.244 , -0.1084]]], dtype=float32)
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In [30]:
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[i for i in topology.bonds][:10]
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Out[30]:
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[Bond(THR0-CA, THR0-C),
- Bond(THR0-C, THR0-O),
- Bond(THR0-CA, THR0-CB),
- Bond(THR0-N, THR0-CA),
- Bond(THR0-CB, THR0-CG2),
- Bond(THR0-CB, THR0-OG1),
- Bond(THR0-C, LEU1-N),
- Bond(LEU1-CA, LEU1-C),
- Bond(LEU1-C, LEU1-O),
- Bond(LEU1-CA, LEU1-CB)]
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- - - - - - diff --git a/Li_Yuan_work.ipynb b/Li_Yuan_work.ipynb deleted file mode 100644 index 6cd4eca..0000000 --- a/Li_Yuan_work.ipynb +++ /dev/null @@ -1,3226 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Table of Content:\n", - "* [Li Yuan's second week work](#2)\n", - "* [Li Yuan's third week work](#3)\n", - " * [Pandas convert](#31)\n", - " * [MdTraj convert](#32)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "\n", - "# Li Yuan's second week work \n", - "\n", - "This is a set of basic examples of the usage and outputs of the various individual functions included in. There are generally three types of functions:\n", - "\n", - "+ Functions that perform searches and return lists of PDB IDs\n", - "+ Functions that get information about specific PDB IDs\n", - "+ Other general-purpose lookup functions\n", - "\n", - "The list of supported search types, as well as the different types of information that can be returned for a given PDB ID, is large (and growing) and is enumerated in the docstrings of pypdb.py. The PDB allows a very wide range of different types of queries, and so any option that is not currently available can likely be implemented based on the structure of the query types that have already been implemented. Please submit feedback and pull requests on GitHub." - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### I didn't find any funcion in that package pypdb we can use to extract seqres and atom, so I only use get_pdb_file() function from that package to get the file and write my own function to do that." - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### Preamble" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "We import this package pypdb and prepare some other things." - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Populating the interactive namespace from numpy and matplotlib\n" - ] - } - ], - "source": [ - "%pylab inline\n", - "from IPython.display import HTML\n", - "\n", - "## Import from local directory\n", - "import sys\n", - "sys.path.insert(0, '../pypdb')\n", - "from pypdb import *\n", - "\n", - "## Import from installed package\n", - "# from pypdb import *\n", - "\n", - "import pprint\n", - "\n", - "%load_ext autoreload\n", - "%autoreload 2" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## This function I wrote is to extract only the seqres as a list" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": {}, - "outputs": [], - "source": [ - "def get_seqres(pdb_id):\n", - " \"\"\" Return the seqres sequence of a pdb file\n", - " \n", - " >>> get_seqres('4Z0L')\n", - " >>> get_seqres('4lza')\n", - " \"\"\"\n", - " pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False) \n", - " # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'.\n", - " file1 = pdb_file.splitlines()\n", - " # split this long string into list by \\n.\n", - " list_se = []\n", - " for line in file1:\n", - " if line[:6] == \"SEQRES\":\n", - " list_se.append(line)\n", - " return(list_se)" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "['SEQRES 1 A 195 MSE HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU ',\n", - " 'SEQRES 2 A 195 GLY THR GLU ASN LEU TYR PHE GLN SER MSE THR LEU GLU ',\n", - " 'SEQRES 3 A 195 GLU ILE LYS MSE MSE ILE ARG GLU ILE PRO ASP PHE PRO ',\n", - " 'SEQRES 4 A 195 LYS LYS GLY ILE LYS PHE LYS ASP ILE THR PRO VAL LEU ',\n", - " 'SEQRES 5 A 195 LYS ASP ALA LYS ALA PHE ASN TYR SER ILE GLU MSE LEU ',\n", - " 'SEQRES 6 A 195 ALA LYS ALA LEU GLU GLY ARG LYS PHE ASP LEU ILE ALA ',\n", - " 'SEQRES 7 A 195 ALA PRO GLU ALA ARG GLY PHE LEU PHE GLY ALA PRO LEU ',\n", - " 'SEQRES 8 A 195 ALA TYR ARG LEU GLY VAL GLY PHE VAL PRO VAL ARG LYS ',\n", - " 'SEQRES 9 A 195 PRO GLY LYS LEU PRO ALA GLU THR LEU SER TYR GLU TYR ',\n", - " 'SEQRES 10 A 195 GLU LEU GLU TYR GLY THR ASP SER LEU GLU ILE HIS LYS ',\n", - " 'SEQRES 11 A 195 ASP ALA VAL LEU GLU GLY GLN ARG VAL VAL ILE VAL ASP ',\n", - " 'SEQRES 12 A 195 ASP LEU LEU ALA THR GLY GLY THR ILE TYR ALA SER ALA ',\n", - " 'SEQRES 13 A 195 LYS LEU VAL GLU SER LEU GLY GLY ILE VAL ASP SER ILE ',\n", - " 'SEQRES 14 A 195 ILE PHE LEU THR GLU LEU THR PHE LEU ASP GLY ARG LYS ',\n", - " 'SEQRES 15 A 195 LYS LEU ASP GLY TYR ASP ILE ILE SER LEU ILE LYS PHE ',\n", - " 'SEQRES 1 B 195 MSE HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU ',\n", - " 'SEQRES 2 B 195 GLY THR GLU ASN LEU TYR PHE GLN SER MSE THR LEU GLU ',\n", - " 'SEQRES 3 B 195 GLU ILE LYS MSE MSE ILE ARG GLU ILE PRO ASP PHE PRO ',\n", - " 'SEQRES 4 B 195 LYS LYS GLY ILE LYS PHE LYS ASP ILE THR PRO VAL LEU ',\n", - " 'SEQRES 5 B 195 LYS ASP ALA LYS ALA PHE ASN TYR SER ILE GLU MSE LEU ']" - ] - }, - "execution_count": 5, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "get_seqres('4lza')[:20]" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "['SEQRES 1 A 587 ALA ASN PRO CYS CYS SER ASN PRO CYS GLN ASN ARG GLY ',\n", - " 'SEQRES 2 A 587 GLU CYS MET SER THR GLY PHE ASP GLN TYR LYS CYS ASP ',\n", - " 'SEQRES 3 A 587 CYS THR ARG THR GLY PHE TYR GLY GLU ASN CYS THR THR ',\n", - " 'SEQRES 4 A 587 PRO GLU PHE LEU THR ARG ILE LYS LEU LEU LEU LYS PRO ',\n", - " 'SEQRES 5 A 587 THR PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS ',\n", - " 'SEQRES 6 A 587 GLY VAL TRP ASN ILE VAL ASN ASN ILE PRO PHE LEU ARG ',\n", - " 'SEQRES 7 A 587 SER LEU ILE MET LYS TYR VAL LEU THR SER ARG SER TYR ',\n", - " 'SEQRES 8 A 587 LEU ILE ASP SER PRO PRO THR TYR ASN VAL HIS TYR GLY ',\n", - " 'SEQRES 9 A 587 TYR LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR ',\n", - " 'SEQRES 10 A 587 THR ARG ALA LEU PRO PRO VAL ALA ASP ASP CYS PRO THR ',\n", - " 'SEQRES 11 A 587 PRO MET GLY VAL LYS GLY ASN LYS GLU LEU PRO ASP SER ',\n", - " 'SEQRES 12 A 587 LYS GLU VAL LEU GLU LYS VAL LEU LEU ARG ARG GLU PHE ',\n", - " 'SEQRES 13 A 587 ILE PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE ',\n", - " 'SEQRES 14 A 587 PHE ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP ',\n", - " 'SEQRES 15 A 587 HIS LYS ARG GLY PRO GLY PHE THR ARG GLY LEU GLY HIS ',\n", - " 'SEQRES 16 A 587 GLY VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ASP ',\n", - " 'SEQRES 17 A 587 ARG GLN HIS LYS LEU ARG LEU PHE LYS ASP GLY LYS LEU ',\n", - " 'SEQRES 18 A 587 LYS TYR GLN VAL ILE GLY GLY GLU VAL TYR PRO PRO THR ',\n", - " 'SEQRES 19 A 587 VAL LYS ASP THR GLN VAL GLU MET ILE TYR PRO PRO HIS ',\n", - " 'SEQRES 20 A 587 ILE PRO GLU ASN LEU GLN PHE ALA VAL GLY GLN GLU VAL ']" - ] - }, - "execution_count": 6, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "get_seqres('4Z0L')[:20]" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### This function I wrote is to extract only the atom sequence as a list" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [], - "source": [ - "def get_atom(pdb_id):\n", - " \"\"\" Return the atom sequence of a pdb file\n", - " \n", - " >>> get_atom('4Z0L')\n", - " >>> get_atom('4lza')\n", - " \"\"\"\n", - " pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False)\n", - " # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'.\n", - " file1 = pdb_file.splitlines()\n", - " list_atom = []\n", - " for line in file1:\n", - " if line[:4] == \"ATOM\":\n", - " list_atom.append(line)\n", - " return(list_atom)" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "['ATOM 1 N ALA A 33 113.744 17.524 85.910 1.00 75.99 N ',\n", - " 'ATOM 2 CA ALA A 33 114.749 17.116 86.884 1.00 76.70 C ',\n", - " 'ATOM 3 C ALA A 33 115.677 18.275 87.231 1.00 73.52 C ',\n", - " 'ATOM 4 O ALA A 33 116.176 18.367 88.354 1.00 75.48 O ',\n", - " 'ATOM 5 CB ALA A 33 115.548 15.934 86.358 1.00 78.19 C ',\n", - " 'ATOM 6 N ASN A 34 115.906 19.154 86.261 1.00 67.98 N ',\n", - " 'ATOM 7 CA ASN A 34 116.747 20.327 86.469 1.00 63.43 C ',\n", - " 'ATOM 8 C ASN A 34 116.113 21.264 87.492 1.00 60.58 C ',\n", - " 'ATOM 9 O ASN A 34 115.006 21.756 87.287 1.00 61.30 O ',\n", - " 'ATOM 10 CB ASN A 34 116.983 21.058 85.144 1.00 63.09 C ']" - ] - }, - "execution_count": 8, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "get_atom('4Z0L')[:10]" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "data": { - "text/plain": [ - "['ATOM 1 N THR A 0 -27.785 5.217 -21.426 1.00 50.53 N ',\n", - " 'ATOM 2 CA THR A 0 -27.459 5.049 -19.974 1.00 49.41 C ',\n", - " 'ATOM 3 C THR A 0 -25.949 5.130 -19.667 1.00 46.13 C ',\n", - " 'ATOM 4 O THR A 0 -25.572 5.789 -18.699 1.00 44.22 O ',\n", - " 'ATOM 5 CB THR A 0 -28.153 3.815 -19.346 1.00 51.85 C ',\n", - " 'ATOM 6 OG1 THR A 0 -27.919 3.787 -17.932 1.00 52.21 O ',\n", - " 'ATOM 7 CG2 THR A 0 -27.688 2.516 -19.989 1.00 53.52 C ',\n", - " 'ATOM 8 N LEU A 1 -25.087 4.511 -20.480 1.00 43.20 N ',\n", - " 'ATOM 9 CA LEU A 1 -23.681 4.942 -20.481 1.00 42.39 C ',\n", - " 'ATOM 10 C LEU A 1 -23.615 6.356 -21.059 1.00 43.21 C ']" - ] - }, - "execution_count": 9, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "get_atom('4lza')[:10]" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "\n", - "# Li Yuan's third week work" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "\n", - "## We first used pandas to convert a list into dataframe " - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### First we used split() to split each string in the list returned by get_atom() function " - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "metadata": {}, - "outputs": [], - "source": [ - "import pandas as pd" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "metadata": {}, - "outputs": [], - "source": [ - "def get_atom(pdb_id):\n", - " \"\"\" Return the atom sequence of a pdb file as a pandas dataframe\n", - " \n", - " >>> get_atom('4Z0L')\n", - " >>> get_atom('4lza')\n", - " \"\"\"\n", - " pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False)\n", - " # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'.\n", - " file1 = pdb_file.splitlines()\n", - " list_atom = []\n", - " for line in file1:\n", - " if line[:4] == \"ATOM\":\n", - " list_atom.append(line)\n", - " list_s_atom = [s.split() for s in list_atom]\n", - " # split each string in a list by white spaces\n", - " df = pd.DataFrame(list_s_atom)\n", - " # use DataFrame function to convert a list to dataframe\n", - " df[\"id\"] = pdb_id\n", - " # add one id column to exsiting dataframe\n", - " return(df)" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
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01234567891011id
0ATOM1NTHRA0-27.7855.217-21.4261.0050.53N4lza
1ATOM2CATHRA0-27.4595.049-19.9741.0049.41C4lza
2ATOM3CTHRA0-25.9495.130-19.6671.0046.13C4lza
3ATOM4OTHRA0-25.5725.789-18.6991.0044.22O4lza
4ATOM5CBTHRA0-28.1533.815-19.3461.0051.85C4lza
5ATOM6OG1THRA0-27.9193.787-17.9321.0052.21O4lza
6ATOM7CG2THRA0-27.6882.516-19.9891.0053.52C4lza
7ATOM8NLEUA1-25.0874.511-20.4801.0043.20N4lza
8ATOM9CALEUA1-23.6814.942-20.4811.0042.39C4lza
9ATOM10CLEUA1-23.6156.356-21.0591.0043.21C4lza
10ATOM11OLEUA1-22.7387.137-20.6881.0041.35O4lza
\n", - "
" - ], - "text/plain": [ - " 0 1 2 3 4 5 6 7 8 9 10 11 id\n", - "0 ATOM 1 N THR A 0 -27.785 5.217 -21.426 1.00 50.53 N 4lza\n", - "1 ATOM 2 CA THR A 0 -27.459 5.049 -19.974 1.00 49.41 C 4lza\n", - "2 ATOM 3 C THR A 0 -25.949 5.130 -19.667 1.00 46.13 C 4lza\n", - "3 ATOM 4 O THR A 0 -25.572 5.789 -18.699 1.00 44.22 O 4lza\n", - "4 ATOM 5 CB THR A 0 -28.153 3.815 -19.346 1.00 51.85 C 4lza\n", - "5 ATOM 6 OG1 THR A 0 -27.919 3.787 -17.932 1.00 52.21 O 4lza\n", - "6 ATOM 7 CG2 THR A 0 -27.688 2.516 -19.989 1.00 53.52 C 4lza\n", - "7 ATOM 8 N LEU A 1 -25.087 4.511 -20.480 1.00 43.20 N 4lza\n", - "8 ATOM 9 CA LEU A 1 -23.681 4.942 -20.481 1.00 42.39 C 4lza\n", - "9 ATOM 10 C LEU A 1 -23.615 6.356 -21.059 1.00 43.21 C 4lza\n", - "10 ATOM 11 O LEU A 1 -22.738 7.137 -20.688 1.00 41.35 O 4lza" - ] - }, - "execution_count": 12, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "get_atom(\"4lza\").head(11)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Second we want to put a couple of pdb entries into one dataframe." - ] - }, - { - "cell_type": "code", - "execution_count": 32, - "metadata": {}, - "outputs": [], - "source": [ - "def get_some_atom(L):\n", - " \"\"\" Take a list with returning some atom parts of pdb files into one dataframe \n", - " \n", - " >>> get_some_atom([\"4lza\", \"4Z0L\"])\n", - " \"\"\"\n", - " frames = [get_atom(l) for l in L]\n", - " return(pd.concat(frames))" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## We test this function with a list [\"4lza\", \"4Z0L]" - ] - }, - { - "cell_type": "code", - "execution_count": 31, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
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01234567891011id
0ATOM1NTHRA0-27.7855.217-21.4261.0050.53N4lza
1ATOM2CATHRA0-27.4595.049-19.9741.0049.41C4lza
2ATOM3CTHRA0-25.9495.130-19.6671.0046.13C4lza
3ATOM4OTHRA0-25.5725.789-18.6991.0044.22O4lza
4ATOM5CBTHRA0-28.1533.815-19.3461.0051.85C4lza
5ATOM6OG1THRA0-27.9193.787-17.9321.0052.21O4lza
6ATOM7CG2THRA0-27.6882.516-19.9891.0053.52C4lza
7ATOM8NLEUA1-25.0874.511-20.4801.0043.20N4lza
8ATOM9CALEUA1-23.6814.942-20.4811.0042.39C4lza
9ATOM10CLEUA1-23.6156.356-21.0591.0043.21C4lza
10ATOM11OLEUA1-22.7387.137-20.6881.0041.35O4lza
11ATOM12CBLEUA1-22.7434.008-21.2571.0041.94C4lza
12ATOM13CGLEUA1-21.9852.915-20.4871.0042.50C4lza
13ATOM14CD1LEUA1-21.3381.957-21.4751.0044.31C4lza
14ATOM15CD2LEUA1-20.9393.448-19.5081.0039.42C4lza
15ATOM16NGLUA2-24.5616.684-21.9501.0045.78N4lza
16ATOM17CAGLUA2-24.6868.048-22.4841.0047.90C4lza
17ATOM18CGLUA2-24.9179.038-21.3561.0043.00C4lza
18ATOM19OGLUA2-24.41910.162-21.4041.0042.03O4lza
19ATOM20CBGLUA2-25.8048.178-23.5311.0053.41C4lza
20ATOM21CGGLUA2-25.8539.566-24.1751.0060.62C4lza
21ATOM22CDGLUA2-26.6249.630-25.4881.0072.10C4lza
22ATOM23OE1GLUA2-27.1768.594-25.9271.0073.33O4lza
23ATOM24OE2GLUA2-26.67610.734-26.0861.0076.05O4lza
24ATOM25NGLUA3-25.6668.603-20.3471.0041.47N4lza
25ATOM26CAGLUA3-25.9209.409-19.1671.0043.73C4lza
26ATOM27CGLUA3-24.6449.647-18.3631.0040.11C4lza
27ATOM28OGLUA3-24.35110.791-18.0141.0039.46O4lza
28ATOM29CBGLUA3-26.9998.769-18.2941.0051.67C4lza
29ATOM30CGGLUA3-28.4209.010-18.7821.0059.54C4lza
..........................................
17862ATOM17866CSERD579117.03837.00323.1171.0043.44C4Z0L
17863ATOM17867OSERD579116.63637.79022.2601.0042.16O4Z0L
17864ATOM17868CBSERD579116.24736.94025.4941.0051.78C4Z0L
17865ATOM17869OGSERD579116.20035.52525.4651.0052.65O4Z0L
17866ATOM17870NPHED580117.25935.71822.8711.0040.53N4Z0L
17867ATOM17871CAPHED580116.94735.13821.5731.0038.81C4Z0L
17868ATOM17872CPHED580115.52934.57321.5711.0043.20C4Z0L
17869ATOM17873OPHED580115.04634.08420.5491.0042.35O4Z0L
17870ATOM17874CBPHED580117.96634.05821.2071.0035.80C4Z0L
17871ATOM17875CGPHED580119.31634.60420.8281.0036.39C4Z0L
17872ATOM17876CD1PHED580119.42535.82420.1821.0033.90C4Z0L
17873ATOM17877CD2PHED580120.47433.90321.1221.0036.79C4Z0L
17874ATOM17878CE1PHED580120.66436.33419.8311.0031.61C4Z0L
17875ATOM17879CE2PHED580121.71634.40920.7751.0033.85C4Z0L
17876ATOM17880CZPHED580121.81035.62520.1291.0031.90C4Z0L
17877ATOM17881NASND581114.86334.65122.7201.0046.01N4Z0L
17878ATOM17882CAASND581113.46734.23922.8171.0048.70C4Z0L
17879ATOM17883CASND581112.58535.33223.4161.0046.12C4Z0L
17880ATOM17884OASND581113.06836.21824.1201.0043.82O4Z0L
17881ATOM17885CBASND581113.33532.94823.6331.0055.75C4Z0L
17882ATOM17886CGASND581113.95333.05625.0151.0063.15C4Z0L
17883ATOM17887OD1ASND581114.39734.12425.4321.0069.07O4Z0L
17884ATOM17888ND2ASND581113.97731.94225.7361.0065.78N4Z0L
17885ATOM17889NVALD582111.28935.26223.1261.0046.70N4Z0L
17886ATOM17890CAVALD582110.34136.26823.5911.0043.77C4Z0L
17887ATOM17891CVALD582109.99636.08225.0661.0044.77C4Z0L
17888ATOM17892OVALD582110.05134.97025.5921.0045.92O4Z0L
17889ATOM17893CBVALD582109.03936.23922.7641.0045.04C4Z0L
17890ATOM17894CG1VALD582109.31436.64621.3231.0040.74C4Z0L
17891ATOM17895CG2VALD582108.40434.85822.8191.0047.16C4Z0L
\n", - "

20524 rows × 13 columns

\n", - "
" - ], - "text/plain": [ - " 0 1 2 3 4 5 6 7 8 9 10 \\\n", - "0 ATOM 1 N THR A 0 -27.785 5.217 -21.426 1.00 50.53 \n", - "1 ATOM 2 CA THR A 0 -27.459 5.049 -19.974 1.00 49.41 \n", - "2 ATOM 3 C THR A 0 -25.949 5.130 -19.667 1.00 46.13 \n", - "3 ATOM 4 O THR A 0 -25.572 5.789 -18.699 1.00 44.22 \n", - "4 ATOM 5 CB THR A 0 -28.153 3.815 -19.346 1.00 51.85 \n", - "5 ATOM 6 OG1 THR A 0 -27.919 3.787 -17.932 1.00 52.21 \n", - "6 ATOM 7 CG2 THR A 0 -27.688 2.516 -19.989 1.00 53.52 \n", - "7 ATOM 8 N LEU A 1 -25.087 4.511 -20.480 1.00 43.20 \n", - "8 ATOM 9 CA LEU A 1 -23.681 4.942 -20.481 1.00 42.39 \n", - "9 ATOM 10 C LEU A 1 -23.615 6.356 -21.059 1.00 43.21 \n", - "10 ATOM 11 O LEU A 1 -22.738 7.137 -20.688 1.00 41.35 \n", - "11 ATOM 12 CB LEU A 1 -22.743 4.008 -21.257 1.00 41.94 \n", - "12 ATOM 13 CG LEU A 1 -21.985 2.915 -20.487 1.00 42.50 \n", - "13 ATOM 14 CD1 LEU A 1 -21.338 1.957 -21.475 1.00 44.31 \n", - "14 ATOM 15 CD2 LEU A 1 -20.939 3.448 -19.508 1.00 39.42 \n", - "15 ATOM 16 N GLU A 2 -24.561 6.684 -21.950 1.00 45.78 \n", - "16 ATOM 17 CA GLU A 2 -24.686 8.048 -22.484 1.00 47.90 \n", - "17 ATOM 18 C GLU A 2 -24.917 9.038 -21.356 1.00 43.00 \n", - "18 ATOM 19 O GLU A 2 -24.419 10.162 -21.404 1.00 42.03 \n", - "19 ATOM 20 CB GLU A 2 -25.804 8.178 -23.531 1.00 53.41 \n", - "20 ATOM 21 CG GLU A 2 -25.853 9.566 -24.175 1.00 60.62 \n", - "21 ATOM 22 CD GLU A 2 -26.624 9.630 -25.488 1.00 72.10 \n", - "22 ATOM 23 OE1 GLU A 2 -27.176 8.594 -25.927 1.00 73.33 \n", - "23 ATOM 24 OE2 GLU A 2 -26.676 10.734 -26.086 1.00 76.05 \n", - "24 ATOM 25 N GLU A 3 -25.666 8.603 -20.347 1.00 41.47 \n", - "25 ATOM 26 CA GLU A 3 -25.920 9.409 -19.167 1.00 43.73 \n", - "26 ATOM 27 C GLU A 3 -24.644 9.647 -18.363 1.00 40.11 \n", - "27 ATOM 28 O GLU A 3 -24.351 10.791 -18.014 1.00 39.46 \n", - "28 ATOM 29 CB GLU A 3 -26.999 8.769 -18.294 1.00 51.67 \n", - "29 ATOM 30 CG GLU A 3 -28.420 9.010 -18.782 1.00 59.54 \n", - "... ... ... ... ... .. ... ... ... ... ... ... \n", - "17862 ATOM 17866 C SER D 579 117.038 37.003 23.117 1.00 43.44 \n", - "17863 ATOM 17867 O SER D 579 116.636 37.790 22.260 1.00 42.16 \n", - "17864 ATOM 17868 CB SER D 579 116.247 36.940 25.494 1.00 51.78 \n", - "17865 ATOM 17869 OG SER D 579 116.200 35.525 25.465 1.00 52.65 \n", - "17866 ATOM 17870 N PHE D 580 117.259 35.718 22.871 1.00 40.53 \n", - "17867 ATOM 17871 CA PHE D 580 116.947 35.138 21.573 1.00 38.81 \n", - "17868 ATOM 17872 C PHE D 580 115.529 34.573 21.571 1.00 43.20 \n", - "17869 ATOM 17873 O PHE D 580 115.046 34.084 20.549 1.00 42.35 \n", - "17870 ATOM 17874 CB PHE D 580 117.966 34.058 21.207 1.00 35.80 \n", - "17871 ATOM 17875 CG PHE D 580 119.316 34.604 20.828 1.00 36.39 \n", - "17872 ATOM 17876 CD1 PHE D 580 119.425 35.824 20.182 1.00 33.90 \n", - "17873 ATOM 17877 CD2 PHE D 580 120.474 33.903 21.122 1.00 36.79 \n", - "17874 ATOM 17878 CE1 PHE D 580 120.664 36.334 19.831 1.00 31.61 \n", - "17875 ATOM 17879 CE2 PHE D 580 121.716 34.409 20.775 1.00 33.85 \n", - "17876 ATOM 17880 CZ PHE D 580 121.810 35.625 20.129 1.00 31.90 \n", - "17877 ATOM 17881 N ASN D 581 114.863 34.651 22.720 1.00 46.01 \n", - "17878 ATOM 17882 CA ASN D 581 113.467 34.239 22.817 1.00 48.70 \n", - "17879 ATOM 17883 C ASN D 581 112.585 35.332 23.416 1.00 46.12 \n", - "17880 ATOM 17884 O ASN D 581 113.068 36.218 24.120 1.00 43.82 \n", - "17881 ATOM 17885 CB ASN D 581 113.335 32.948 23.633 1.00 55.75 \n", - "17882 ATOM 17886 CG ASN D 581 113.953 33.056 25.015 1.00 63.15 \n", - "17883 ATOM 17887 OD1 ASN D 581 114.397 34.124 25.432 1.00 69.07 \n", - "17884 ATOM 17888 ND2 ASN D 581 113.977 31.942 25.736 1.00 65.78 \n", - "17885 ATOM 17889 N VAL D 582 111.289 35.262 23.126 1.00 46.70 \n", - "17886 ATOM 17890 CA VAL D 582 110.341 36.268 23.591 1.00 43.77 \n", - "17887 ATOM 17891 C VAL D 582 109.996 36.082 25.066 1.00 44.77 \n", - "17888 ATOM 17892 O VAL D 582 110.051 34.970 25.592 1.00 45.92 \n", - "17889 ATOM 17893 CB VAL D 582 109.039 36.239 22.764 1.00 45.04 \n", - "17890 ATOM 17894 CG1 VAL D 582 109.314 36.646 21.323 1.00 40.74 \n", - "17891 ATOM 17895 CG2 VAL D 582 108.404 34.858 22.819 1.00 47.16 \n", - "\n", - " 11 id \n", - "0 N 4lza \n", - "1 C 4lza \n", - "2 C 4lza \n", - "3 O 4lza \n", - "4 C 4lza \n", - "5 O 4lza \n", - "6 C 4lza \n", - "7 N 4lza \n", - "8 C 4lza \n", - "9 C 4lza \n", - "10 O 4lza \n", - "11 C 4lza \n", - "12 C 4lza \n", - "13 C 4lza \n", - "14 C 4lza \n", - "15 N 4lza \n", - "16 C 4lza \n", - "17 C 4lza \n", - "18 O 4lza \n", - "19 C 4lza \n", - "20 C 4lza \n", - "21 C 4lza \n", - "22 O 4lza \n", - "23 O 4lza \n", - "24 N 4lza \n", - "25 C 4lza \n", - "26 C 4lza \n", - "27 O 4lza \n", - "28 C 4lza \n", - "29 C 4lza \n", - "... .. ... \n", - "17862 C 4Z0L \n", - "17863 O 4Z0L \n", - "17864 C 4Z0L \n", - "17865 O 4Z0L \n", - "17866 N 4Z0L \n", - "17867 C 4Z0L \n", - "17868 C 4Z0L \n", - "17869 O 4Z0L \n", - "17870 C 4Z0L \n", - "17871 C 4Z0L \n", - "17872 C 4Z0L \n", - "17873 C 4Z0L \n", - "17874 C 4Z0L \n", - "17875 C 4Z0L \n", - "17876 C 4Z0L \n", - "17877 N 4Z0L \n", - "17878 C 4Z0L \n", - "17879 C 4Z0L \n", - "17880 O 4Z0L \n", - "17881 C 4Z0L \n", - "17882 C 4Z0L \n", - "17883 O 4Z0L \n", - "17884 N 4Z0L \n", - "17885 N 4Z0L \n", - "17886 C 4Z0L \n", - "17887 C 4Z0L \n", - "17888 O 4Z0L \n", - "17889 C 4Z0L \n", - "17890 C 4Z0L \n", - "17891 C 4Z0L \n", - "\n", - "[20524 rows x 13 columns]" - ] - }, - "execution_count": 31, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "get_some_atom([\"4lza\", \"4Z0L\"])" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Next we want to put all ids into one dataframe" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### We used get_all() to list all pdb entries. " - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "169681" - ] - }, - "execution_count": 15, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "len(get_all())" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### We found there was 169681 entries in the current PDB DataBase." - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "### We used concat() function to merge all the dataframe of each pdb entry into one huge dataframe." - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "
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856 rows × 13 columns

\n", - "
" - ], - "text/plain": [ - " 0 1 2 3 4 5 6 7 8 9 10 11 id\n", - "0 ATOM 1 O5' C A 1 -4.549 5.095 4.262 1.00 28.71 O 100D\n", - "1 ATOM 2 C5' C A 1 -4.176 6.323 3.646 1.00 27.35 C 100D\n", - "2 ATOM 3 C4' C A 1 -3.853 7.410 4.672 1.00 24.41 C 100D\n", - "3 ATOM 4 O4' C A 1 -4.992 7.650 5.512 1.00 22.53 O 100D\n", - "4 ATOM 5 C3' C A 1 -2.713 7.010 5.605 1.00 23.56 C 100D\n", - "5 ATOM 6 O3' C A 1 -1.379 7.127 5.060 1.00 21.02 O 100D\n", - "6 ATOM 7 C2' C A 1 -2.950 7.949 6.756 1.00 23.73 C 100D\n", - "7 ATOM 8 O2' C A 1 -2.407 9.267 6.554 1.00 23.93 O 100D\n", - "8 ATOM 9 C1' C A 1 -4.489 7.917 6.825 1.00 20.60 C 100D\n", - "9 ATOM 10 N1 C A 1 -4.931 6.902 7.826 1.00 19.25 N 100D\n", - "10 ATOM 11 C2 C A 1 -4.838 7.263 9.158 1.00 16.72 C 100D\n", - "11 ATOM 12 O2 C A 1 -4.287 8.308 9.505 1.00 15.49 O 100D\n", - "12 ATOM 13 N3 C A 1 -5.367 6.448 10.085 1.00 15.96 N 100D\n", - "13 ATOM 14 C4 C A 1 -5.978 5.310 9.736 1.00 16.84 C 100D\n", - "14 ATOM 15 N4 C A 1 -6.592 4.588 10.676 1.00 19.14 N 100D\n", - "15 ATOM 16 C5 C A 1 -6.059 4.907 8.376 1.00 17.68 C 100D\n", - "16 ATOM 17 C6 C A 1 -5.522 5.732 7.461 1.00 17.68 C 100D\n", - "17 ATOM 18 P DC A 2 -0.178 6.220 5.647 1.00 24.85 P 100D\n", - "18 ATOM 19 OP1 DC A 2 0.915 6.451 4.671 1.00 25.96 O 100D\n", - "19 ATOM 20 OP2 DC A 2 -0.948 4.954 5.664 1.00 24.57 O 100D\n", - "20 ATOM 21 O5' DC A 2 0.435 6.502 7.097 1.00 24.10 O 100D\n", - "21 ATOM 22 C5' DC A 2 1.020 7.793 7.281 1.00 19.66 C 100D\n", - "22 ATOM 23 C4' DC A 2 1.034 8.184 8.738 1.00 17.99 C 100D\n", - "23 ATOM 24 O4' DC A 2 -0.290 8.244 9.222 1.00 17.23 O 100D\n", - "24 ATOM 25 C3' DC A 2 1.724 7.167 9.617 1.00 18.98 C 100D\n", - "25 ATOM 26 O3' DC A 2 3.130 7.395 9.564 1.00 18.39 O 100D\n", - "26 ATOM 27 C2' DC A 2 1.152 7.607 10.934 1.00 17.33 C 100D\n", - "27 ATOM 28 C1' DC A 2 -0.273 7.853 10.599 1.00 15.44 C 100D\n", - "28 ATOM 29 N1 DC A 2 -1.070 6.635 10.823 1.00 14.48 N 100D\n", - "29 ATOM 30 C2 DC A 2 -1.417 6.355 12.130 1.00 13.03 C 100D\n", - ".. ... ... ... .. .. .. ... ... ... ... ... .. ...\n", - "418 ATOM 460 N1 DC B 23 14.637 21.541 22.637 1.00 5.21 N 101D\n", - "419 ATOM 461 C2 DC B 23 15.618 22.342 22.078 1.00 6.76 C 101D\n", - "420 ATOM 462 O2 DC B 23 16.700 21.866 21.792 1.00 6.72 O 101D\n", - "421 ATOM 463 N3 DC B 23 15.317 23.677 21.932 1.00 10.02 N 101D\n", - "422 ATOM 464 C4 DC B 23 14.115 24.232 22.250 1.00 7.10 C 101D\n", - "423 ATOM 465 N4 DC B 23 13.904 25.543 22.033 1.00 0.00 N 101D\n", - "424 ATOM 466 C5 DC B 23 13.108 23.372 22.777 1.00 7.82 C 101D\n", - "425 ATOM 467 C6 DC B 23 13.414 22.064 22.930 1.00 4.87 C 101D\n", - "426 ATOM 468 P DG B 24 15.967 16.347 24.405 1.00 28.28 P 101D\n", - "427 ATOM 469 OP1 DG B 24 16.200 14.964 23.832 1.00 27.79 O 101D\n", - "428 ATOM 470 OP2 DG B 24 15.043 16.312 25.587 1.00 22.79 O 101D\n", - "429 ATOM 471 O5' DG B 24 17.290 17.159 24.722 1.00 28.58 O 101D\n", - "430 ATOM 472 C5' DG B 24 18.246 17.920 23.998 1.00 16.71 C 101D\n", - "431 ATOM 473 C4' DG B 24 18.914 18.907 24.951 1.00 12.60 C 101D\n", - "432 ATOM 474 O4' DG B 24 18.372 20.147 24.710 1.00 5.80 O 101D\n", - "433 ATOM 475 C3' DG B 24 18.654 18.701 26.432 1.00 14.53 C 101D\n", - "434 ATOM 476 O3' DG B 24 19.678 17.873 27.024 1.00 22.51 O 101D\n", - "435 ATOM 477 C2' DG B 24 18.593 20.091 27.036 1.00 12.59 C 101D\n", - "436 ATOM 478 C1' DG B 24 18.681 20.995 25.860 1.00 8.49 C 101D\n", - "437 ATOM 479 N9 DG B 24 17.627 22.013 25.822 1.00 10.33 N 101D\n", - "438 ATOM 480 C8 DG B 24 16.312 21.854 26.191 1.00 7.57 C 101D\n", - "439 ATOM 481 N7 DG B 24 15.579 22.904 26.013 1.00 8.17 N 101D\n", - "440 ATOM 482 C5 DG B 24 16.467 23.824 25.441 1.00 5.92 C 101D\n", - "441 ATOM 483 C6 DG B 24 16.256 25.159 25.040 1.00 9.51 C 101D\n", - "442 ATOM 484 O6 DG B 24 15.193 25.805 25.110 1.00 11.38 O 101D\n", - "443 ATOM 485 N1 DG B 24 17.380 25.781 24.551 1.00 9.55 N 101D\n", - "444 ATOM 486 C2 DG B 24 18.598 25.147 24.436 1.00 9.22 C 101D\n", - "445 ATOM 487 N2 DG B 24 19.520 25.991 23.890 1.00 0.67 N 101D\n", - "446 ATOM 488 N3 DG B 24 18.851 23.879 24.780 1.00 1.61 N 101D\n", - "447 ATOM 489 C4 DG B 24 17.734 23.301 25.301 1.00 7.73 C 101D\n", - "\n", - "[856 rows x 13 columns]" - ] - }, - "execution_count": 16, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "frames = [get_atom(id) for id in get_all()[:2]]\n", - "pd.concat(frames)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "\n", - "## We used mdtraj package to load pdb file into memory from URL" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - ">MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories. Features include:\n", - "1. Wide MD format support, including pdb, xtc, trr, dcd, binpos, netcdf, mdcrd, prmtop, and more.\n", - "2. Extremely fast RMSD calculations (4x the speed of the original Theobald QCP).\n", - "3. Extensive analysis functions including those that compute bonds, angles, dihedrals, hydrogen bonds, secondary structure, and NMR observables.\n", - "4. Lightweight, Pythonic API." - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "metadata": {}, - "outputs": [], - "source": [ - "import mdtraj as md # import this package" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "metadata": {}, - "outputs": [], - "source": [ - "pdb = md.load_pdb(\"https://files.rcsb.org/view/4LZA.pdb\") # load data" - ] - }, - { - "cell_type": "code", - "execution_count": 19, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n" - ] - } - ], - "source": [ - "print(pdb) # print to see how many frames and atoms, residues this file has " - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## We convert this pdb file into topology" - ] - }, - { - "cell_type": "code", - "execution_count": 20, - "metadata": {}, - "outputs": [], - "source": [ - "topology = pdb.topology" - ] - }, - { - "cell_type": "code", - "execution_count": 21, - "metadata": {}, - "outputs": [], - "source": [ - "table, bonds = topology.to_dataframe()" - ] - }, - { - "cell_type": "code", - "execution_count": 22, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - " serial name element resSeq resName chainID segmentID\n", - "0 1 N N 0 THR 0 \n", - "1 2 CA C 0 THR 0 \n", - "2 3 C C 0 THR 0 \n", - "3 4 O O 0 THR 0 \n", - "4 5 CB C 0 THR 0 \n", - "5 6 OG1 O 0 THR 0 \n", - "6 7 CG2 C 0 THR 0 \n" - ] - } - ], - "source": [ - "print(table.head(7))" - ] - }, - { - "cell_type": "code", - "execution_count": 23, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "LEU1-O" - ] - }, - "execution_count": 23, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "topology.atom(10)" - ] - }, - { - "cell_type": "code", - "execution_count": 24, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "" - ] - }, - "execution_count": 24, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "topology.atoms" - ] - }, - { - "cell_type": "code", - "execution_count": 25, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "[THR0-N,\n", - " THR0-CA,\n", - " THR0-C,\n", - " THR0-O,\n", - " THR0-CB,\n", - " THR0-OG1,\n", - " THR0-CG2,\n", - " LEU1-N,\n", - " LEU1-CA,\n", - " LEU1-C]" - ] - }, - "execution_count": 25, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "[i for i in topology.atoms][:10]" - ] - }, - { - "cell_type": "code", - "execution_count": 26, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - " serial name element resSeq resName chainID segmentID\n", - "0 1 N N 0 THR 0 \n", - "1 2 CA C 0 THR 0 \n", - "2 3 C C 0 THR 0 \n", - "3 4 O O 0 THR 0 \n", - "4 5 CB C 0 THR 0 \n", - "5 6 OG1 O 0 THR 0 \n", - "6 7 CG2 C 0 THR 0 \n", - "7 8 N N 1 LEU 0 \n", - "8 9 CA C 1 LEU 0 \n", - "9 10 C C 1 LEU 0 \n" - ] - } - ], - "source": [ - "print(table.head(10))" - ] - }, - { - "cell_type": "code", - "execution_count": 27, - "metadata": {}, - "outputs": [], - "source": [ - "atom = pdb.atom_slice(range(2833))" - ] - }, - { - "cell_type": "code", - "execution_count": 28, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n" - ] - } - ], - "source": [ - "print(atom)" - ] - }, - { - "cell_type": "code", - "execution_count": 29, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "array([[[-2.7785, 0.5217, -2.1426],\n", - " [-2.7459, 0.5049, -1.9974],\n", - " [-2.5949, 0.513 , -1.9667],\n", - " ...,\n", - " [-0.6332, -1.3026, -0.3481],\n", - " [-0.8265, -1.4563, -0.0902],\n", - " [-2.8824, 1.244 , -0.1084]]], dtype=float32)" - ] - }, - "execution_count": 29, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "atom.xyz" - ] - }, - { - "cell_type": "code", - "execution_count": 30, - "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "[Bond(THR0-CA, THR0-C),\n", - " Bond(THR0-C, THR0-O),\n", - " Bond(THR0-CA, THR0-CB),\n", - " Bond(THR0-N, THR0-CA),\n", - " Bond(THR0-CB, THR0-CG2),\n", - " Bond(THR0-CB, THR0-OG1),\n", - " Bond(THR0-C, LEU1-N),\n", - " Bond(LEU1-CA, LEU1-C),\n", - " Bond(LEU1-C, LEU1-O),\n", - " Bond(LEU1-CA, LEU1-CB)]" - ] - }, - "execution_count": 30, - "metadata": {}, - "output_type": "execute_result" - } - ], - "source": [ - "[i for i in topology.bonds][:10]" - ] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.7.3" - } - }, - "nbformat": 4, - "nbformat_minor": 2 -} diff --git a/Li_Yuan_work.md b/Li_Yuan_work.md deleted file mode 100644 index 7171715..0000000 --- a/Li_Yuan_work.md +++ /dev/null @@ -1,2706 +0,0 @@ - -# Table of Content: -* [Li Yuan's second week work](#2) -* [Li Yuan's third week work](#3) - * [Pandas convert](#31) - * [MdTraj convert](#32) - - -# Li Yuan's second week work - -This is a set of basic examples of the usage and outputs of the various individual functions included in. There are generally three types of functions: - -+ Functions that perform searches and return lists of PDB IDs -+ Functions that get information about specific PDB IDs -+ Other general-purpose lookup functions - -The list of supported search types, as well as the different types of information that can be returned for a given PDB ID, is large (and growing) and is enumerated in the docstrings of pypdb.py. The PDB allows a very wide range of different types of queries, and so any option that is not currently available can likely be implemented based on the structure of the query types that have already been implemented. Please submit feedback and pull requests on GitHub. - -### I didn't find any funcion in that package pypdb we can use to extract seqres and atom, so I only use get_pdb_file() function from that package to get the file and write my own function to do that. - -### Preamble - -We import this package pypdb and prepare some other things. - - -```python -%pylab inline -from IPython.display import HTML - -## Import from local directory -import sys -sys.path.insert(0, '../pypdb') -from pypdb import * - -## Import from installed package -# from pypdb import * - -import pprint - -%load_ext autoreload -%autoreload 2 -``` - - Populating the interactive namespace from numpy and matplotlib - - -## This function I wrote is to extract only the seqres as a list - - -```python -def get_seqres(pdb_id): - """ Return the seqres sequence of a pdb file - - >>> get_seqres('4Z0L') - >>> get_seqres('4lza') - """ - pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False) - # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'. - file1 = pdb_file.splitlines() - # split this long string into list by \n. - list_se = [] - for line in file1: - if line[:6] == "SEQRES": - list_se.append(line) - return(list_se) -``` - - -```python -get_seqres('4lza')[:20] -``` - - - - - ['SEQRES 1 A 195 MSE HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU ', - 'SEQRES 2 A 195 GLY THR GLU ASN LEU TYR PHE GLN SER MSE THR LEU GLU ', - 'SEQRES 3 A 195 GLU ILE LYS MSE MSE ILE ARG GLU ILE PRO ASP PHE PRO ', - 'SEQRES 4 A 195 LYS LYS GLY ILE LYS PHE LYS ASP ILE THR PRO VAL LEU ', - 'SEQRES 5 A 195 LYS ASP ALA LYS ALA PHE ASN TYR SER ILE GLU MSE LEU ', - 'SEQRES 6 A 195 ALA LYS ALA LEU GLU GLY ARG LYS PHE ASP LEU ILE ALA ', - 'SEQRES 7 A 195 ALA PRO GLU ALA ARG GLY PHE LEU PHE GLY ALA PRO LEU ', - 'SEQRES 8 A 195 ALA TYR ARG LEU GLY VAL GLY PHE VAL PRO VAL ARG LYS ', - 'SEQRES 9 A 195 PRO GLY LYS LEU PRO ALA GLU THR LEU SER TYR GLU TYR ', - 'SEQRES 10 A 195 GLU LEU GLU TYR GLY THR ASP SER LEU GLU ILE HIS LYS ', - 'SEQRES 11 A 195 ASP ALA VAL LEU GLU GLY GLN ARG VAL VAL ILE VAL ASP ', - 'SEQRES 12 A 195 ASP LEU LEU ALA THR GLY GLY THR ILE TYR ALA SER ALA ', - 'SEQRES 13 A 195 LYS LEU VAL GLU SER LEU GLY GLY ILE VAL ASP SER ILE ', - 'SEQRES 14 A 195 ILE PHE LEU THR GLU LEU THR PHE LEU ASP GLY ARG LYS ', - 'SEQRES 15 A 195 LYS LEU ASP GLY TYR ASP ILE ILE SER LEU ILE LYS PHE ', - 'SEQRES 1 B 195 MSE HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU ', - 'SEQRES 2 B 195 GLY THR GLU ASN LEU TYR PHE GLN SER MSE THR LEU GLU ', - 'SEQRES 3 B 195 GLU ILE LYS MSE MSE ILE ARG GLU ILE PRO ASP PHE PRO ', - 'SEQRES 4 B 195 LYS LYS GLY ILE LYS PHE LYS ASP ILE THR PRO VAL LEU ', - 'SEQRES 5 B 195 LYS ASP ALA LYS ALA PHE ASN TYR SER ILE GLU MSE LEU '] - - - - -```python -get_seqres('4Z0L')[:20] -``` - - - - - ['SEQRES 1 A 587 ALA ASN PRO CYS CYS SER ASN PRO CYS GLN ASN ARG GLY ', - 'SEQRES 2 A 587 GLU CYS MET SER THR GLY PHE ASP GLN TYR LYS CYS ASP ', - 'SEQRES 3 A 587 CYS THR ARG THR GLY PHE TYR GLY GLU ASN CYS THR THR ', - 'SEQRES 4 A 587 PRO GLU PHE LEU THR ARG ILE LYS LEU LEU LEU LYS PRO ', - 'SEQRES 5 A 587 THR PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS ', - 'SEQRES 6 A 587 GLY VAL TRP ASN ILE VAL ASN ASN ILE PRO PHE LEU ARG ', - 'SEQRES 7 A 587 SER LEU ILE MET LYS TYR VAL LEU THR SER ARG SER TYR ', - 'SEQRES 8 A 587 LEU ILE ASP SER PRO PRO THR TYR ASN VAL HIS TYR GLY ', - 'SEQRES 9 A 587 TYR LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR ', - 'SEQRES 10 A 587 THR ARG ALA LEU PRO PRO VAL ALA ASP ASP CYS PRO THR ', - 'SEQRES 11 A 587 PRO MET GLY VAL LYS GLY ASN LYS GLU LEU PRO ASP SER ', - 'SEQRES 12 A 587 LYS GLU VAL LEU GLU LYS VAL LEU LEU ARG ARG GLU PHE ', - 'SEQRES 13 A 587 ILE PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE ', - 'SEQRES 14 A 587 PHE ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP ', - 'SEQRES 15 A 587 HIS LYS ARG GLY PRO GLY PHE THR ARG GLY LEU GLY HIS ', - 'SEQRES 16 A 587 GLY VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ASP ', - 'SEQRES 17 A 587 ARG GLN HIS LYS LEU ARG LEU PHE LYS ASP GLY LYS LEU ', - 'SEQRES 18 A 587 LYS TYR GLN VAL ILE GLY GLY GLU VAL TYR PRO PRO THR ', - 'SEQRES 19 A 587 VAL LYS ASP THR GLN VAL GLU MET ILE TYR PRO PRO HIS ', - 'SEQRES 20 A 587 ILE PRO GLU ASN LEU GLN PHE ALA VAL GLY GLN GLU VAL '] - - - -### This function I wrote is to extract only the atom sequence as a list - - -```python -def get_atom(pdb_id): - """ Return the atom sequence of a pdb file - - >>> get_atom('4Z0L') - >>> get_atom('4lza') - """ - pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False) - # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'. - file1 = pdb_file.splitlines() - list_atom = [] - for line in file1: - if line[:4] == "ATOM": - list_atom.append(line) - return(list_atom) -``` - - -```python -get_atom('4Z0L')[:10] -``` - - - - - ['ATOM 1 N ALA A 33 113.744 17.524 85.910 1.00 75.99 N ', - 'ATOM 2 CA ALA A 33 114.749 17.116 86.884 1.00 76.70 C ', - 'ATOM 3 C ALA A 33 115.677 18.275 87.231 1.00 73.52 C ', - 'ATOM 4 O ALA A 33 116.176 18.367 88.354 1.00 75.48 O ', - 'ATOM 5 CB ALA A 33 115.548 15.934 86.358 1.00 78.19 C ', - 'ATOM 6 N ASN A 34 115.906 19.154 86.261 1.00 67.98 N ', - 'ATOM 7 CA ASN A 34 116.747 20.327 86.469 1.00 63.43 C ', - 'ATOM 8 C ASN A 34 116.113 21.264 87.492 1.00 60.58 C ', - 'ATOM 9 O ASN A 34 115.006 21.756 87.287 1.00 61.30 O ', - 'ATOM 10 CB ASN A 34 116.983 21.058 85.144 1.00 63.09 C '] - - - - -```python -get_atom('4lza')[:10] -``` - - - - - ['ATOM 1 N THR A 0 -27.785 5.217 -21.426 1.00 50.53 N ', - 'ATOM 2 CA THR A 0 -27.459 5.049 -19.974 1.00 49.41 C ', - 'ATOM 3 C THR A 0 -25.949 5.130 -19.667 1.00 46.13 C ', - 'ATOM 4 O THR A 0 -25.572 5.789 -18.699 1.00 44.22 O ', - 'ATOM 5 CB THR A 0 -28.153 3.815 -19.346 1.00 51.85 C ', - 'ATOM 6 OG1 THR A 0 -27.919 3.787 -17.932 1.00 52.21 O ', - 'ATOM 7 CG2 THR A 0 -27.688 2.516 -19.989 1.00 53.52 C ', - 'ATOM 8 N LEU A 1 -25.087 4.511 -20.480 1.00 43.20 N ', - 'ATOM 9 CA LEU A 1 -23.681 4.942 -20.481 1.00 42.39 C ', - 'ATOM 10 C LEU A 1 -23.615 6.356 -21.059 1.00 43.21 C '] - - - - -# Li Yuan's third week work - - -## We first used pandas to convert a list into dataframe - -### First we used split() to split each string in the list returned by get_atom() function - - -```python -import pandas as pd -``` - - -```python -def get_atom(pdb_id): - """ Return the atom sequence of a pdb file as a pandas dataframe - - >>> get_atom('4Z0L') - >>> get_atom('4lza') - """ - pdb_file = get_pdb_file(pdb_id, filetype='pdb', compression=False) - # using a get_pdb_file() function from pypdb package to return a file with format 'pdb'. - file1 = pdb_file.splitlines() - list_atom = [] - for line in file1: - if line[:4] == "ATOM": - list_atom.append(line) - list_s_atom = [s.split() for s in list_atom] - # split each string in a list by white spaces - df = pd.DataFrame(list_s_atom) - # use DataFrame function to convert a list to dataframe - df["id"] = pdb_id - # add one id column to exsiting dataframe - return(df) -``` - - -```python -get_atom("4lza").head(11) -``` - - - - -
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
01234567891011id
0ATOM1NTHRA0-27.7855.217-21.4261.0050.53N4lza
1ATOM2CATHRA0-27.4595.049-19.9741.0049.41C4lza
2ATOM3CTHRA0-25.9495.130-19.6671.0046.13C4lza
3ATOM4OTHRA0-25.5725.789-18.6991.0044.22O4lza
4ATOM5CBTHRA0-28.1533.815-19.3461.0051.85C4lza
5ATOM6OG1THRA0-27.9193.787-17.9321.0052.21O4lza
6ATOM7CG2THRA0-27.6882.516-19.9891.0053.52C4lza
7ATOM8NLEUA1-25.0874.511-20.4801.0043.20N4lza
8ATOM9CALEUA1-23.6814.942-20.4811.0042.39C4lza
9ATOM10CLEUA1-23.6156.356-21.0591.0043.21C4lza
10ATOM11OLEUA1-22.7387.137-20.6881.0041.35O4lza
-
- - - -## Second we want to put a couple of pdb entries into one dataframe. - - -```python -def get_some_atom(L): - """ Take a list with returning some atom parts of pdb files into one dataframe - - >>> get_some_atom(["4lza", "4Z0L"]) - """ - frames = [get_atom(l) for l in L] - return(pd.concat(frames)) -``` - -## We test this function with a list ["4lza", "4Z0L] - - -```python -get_some_atom(["4lza", "4Z0L"]) -``` - - - - -
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
01234567891011id
0ATOM1NTHRA0-27.7855.217-21.4261.0050.53N4lza
1ATOM2CATHRA0-27.4595.049-19.9741.0049.41C4lza
2ATOM3CTHRA0-25.9495.130-19.6671.0046.13C4lza
3ATOM4OTHRA0-25.5725.789-18.6991.0044.22O4lza
4ATOM5CBTHRA0-28.1533.815-19.3461.0051.85C4lza
5ATOM6OG1THRA0-27.9193.787-17.9321.0052.21O4lza
6ATOM7CG2THRA0-27.6882.516-19.9891.0053.52C4lza
7ATOM8NLEUA1-25.0874.511-20.4801.0043.20N4lza
8ATOM9CALEUA1-23.6814.942-20.4811.0042.39C4lza
9ATOM10CLEUA1-23.6156.356-21.0591.0043.21C4lza
10ATOM11OLEUA1-22.7387.137-20.6881.0041.35O4lza
11ATOM12CBLEUA1-22.7434.008-21.2571.0041.94C4lza
12ATOM13CGLEUA1-21.9852.915-20.4871.0042.50C4lza
13ATOM14CD1LEUA1-21.3381.957-21.4751.0044.31C4lza
14ATOM15CD2LEUA1-20.9393.448-19.5081.0039.42C4lza
15ATOM16NGLUA2-24.5616.684-21.9501.0045.78N4lza
16ATOM17CAGLUA2-24.6868.048-22.4841.0047.90C4lza
17ATOM18CGLUA2-24.9179.038-21.3561.0043.00C4lza
18ATOM19OGLUA2-24.41910.162-21.4041.0042.03O4lza
19ATOM20CBGLUA2-25.8048.178-23.5311.0053.41C4lza
20ATOM21CGGLUA2-25.8539.566-24.1751.0060.62C4lza
21ATOM22CDGLUA2-26.6249.630-25.4881.0072.10C4lza
22ATOM23OE1GLUA2-27.1768.594-25.9271.0073.33O4lza
23ATOM24OE2GLUA2-26.67610.734-26.0861.0076.05O4lza
24ATOM25NGLUA3-25.6668.603-20.3471.0041.47N4lza
25ATOM26CAGLUA3-25.9209.409-19.1671.0043.73C4lza
26ATOM27CGLUA3-24.6449.647-18.3631.0040.11C4lza
27ATOM28OGLUA3-24.35110.791-18.0141.0039.46O4lza
28ATOM29CBGLUA3-26.9998.769-18.2941.0051.67C4lza
29ATOM30CGGLUA3-28.4209.010-18.7821.0059.54C4lza
..........................................
17862ATOM17866CSERD579117.03837.00323.1171.0043.44C4Z0L
17863ATOM17867OSERD579116.63637.79022.2601.0042.16O4Z0L
17864ATOM17868CBSERD579116.24736.94025.4941.0051.78C4Z0L
17865ATOM17869OGSERD579116.20035.52525.4651.0052.65O4Z0L
17866ATOM17870NPHED580117.25935.71822.8711.0040.53N4Z0L
17867ATOM17871CAPHED580116.94735.13821.5731.0038.81C4Z0L
17868ATOM17872CPHED580115.52934.57321.5711.0043.20C4Z0L
17869ATOM17873OPHED580115.04634.08420.5491.0042.35O4Z0L
17870ATOM17874CBPHED580117.96634.05821.2071.0035.80C4Z0L
17871ATOM17875CGPHED580119.31634.60420.8281.0036.39C4Z0L
17872ATOM17876CD1PHED580119.42535.82420.1821.0033.90C4Z0L
17873ATOM17877CD2PHED580120.47433.90321.1221.0036.79C4Z0L
17874ATOM17878CE1PHED580120.66436.33419.8311.0031.61C4Z0L
17875ATOM17879CE2PHED580121.71634.40920.7751.0033.85C4Z0L
17876ATOM17880CZPHED580121.81035.62520.1291.0031.90C4Z0L
17877ATOM17881NASND581114.86334.65122.7201.0046.01N4Z0L
17878ATOM17882CAASND581113.46734.23922.8171.0048.70C4Z0L
17879ATOM17883CASND581112.58535.33223.4161.0046.12C4Z0L
17880ATOM17884OASND581113.06836.21824.1201.0043.82O4Z0L
17881ATOM17885CBASND581113.33532.94823.6331.0055.75C4Z0L
17882ATOM17886CGASND581113.95333.05625.0151.0063.15C4Z0L
17883ATOM17887OD1ASND581114.39734.12425.4321.0069.07O4Z0L
17884ATOM17888ND2ASND581113.97731.94225.7361.0065.78N4Z0L
17885ATOM17889NVALD582111.28935.26223.1261.0046.70N4Z0L
17886ATOM17890CAVALD582110.34136.26823.5911.0043.77C4Z0L
17887ATOM17891CVALD582109.99636.08225.0661.0044.77C4Z0L
17888ATOM17892OVALD582110.05134.97025.5921.0045.92O4Z0L
17889ATOM17893CBVALD582109.03936.23922.7641.0045.04C4Z0L
17890ATOM17894CG1VALD582109.31436.64621.3231.0040.74C4Z0L
17891ATOM17895CG2VALD582108.40434.85822.8191.0047.16C4Z0L
-

20524 rows × 13 columns

-
- - - -## Next we want to put all ids into one dataframe - -### We used get_all() to list all pdb entries. - - -```python -len(get_all()) -``` - - - - - 169681 - - - -### We found there was 169681 entries in the current PDB DataBase. - -### We used concat() function to merge all the dataframe of each pdb entry into one huge dataframe. - - -```python -frames = [get_atom(id) for id in get_all()[:2]] -pd.concat(frames) -``` - - - - -
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
01234567891011id
0ATOM1O5'CA1-4.5495.0954.2621.0028.71O100D
1ATOM2C5'CA1-4.1766.3233.6461.0027.35C100D
2ATOM3C4'CA1-3.8537.4104.6721.0024.41C100D
3ATOM4O4'CA1-4.9927.6505.5121.0022.53O100D
4ATOM5C3'CA1-2.7137.0105.6051.0023.56C100D
5ATOM6O3'CA1-1.3797.1275.0601.0021.02O100D
6ATOM7C2'CA1-2.9507.9496.7561.0023.73C100D
7ATOM8O2'CA1-2.4079.2676.5541.0023.93O100D
8ATOM9C1'CA1-4.4897.9176.8251.0020.60C100D
9ATOM10N1CA1-4.9316.9027.8261.0019.25N100D
10ATOM11C2CA1-4.8387.2639.1581.0016.72C100D
11ATOM12O2CA1-4.2878.3089.5051.0015.49O100D
12ATOM13N3CA1-5.3676.44810.0851.0015.96N100D
13ATOM14C4CA1-5.9785.3109.7361.0016.84C100D
14ATOM15N4CA1-6.5924.58810.6761.0019.14N100D
15ATOM16C5CA1-6.0594.9078.3761.0017.68C100D
16ATOM17C6CA1-5.5225.7327.4611.0017.68C100D
17ATOM18PDCA2-0.1786.2205.6471.0024.85P100D
18ATOM19OP1DCA20.9156.4514.6711.0025.96O100D
19ATOM20OP2DCA2-0.9484.9545.6641.0024.57O100D
20ATOM21O5'DCA20.4356.5027.0971.0024.10O100D
21ATOM22C5'DCA21.0207.7937.2811.0019.66C100D
22ATOM23C4'DCA21.0348.1848.7381.0017.99C100D
23ATOM24O4'DCA2-0.2908.2449.2221.0017.23O100D
24ATOM25C3'DCA21.7247.1679.6171.0018.98C100D
25ATOM26O3'DCA23.1307.3959.5641.0018.39O100D
26ATOM27C2'DCA21.1527.60710.9341.0017.33C100D
27ATOM28C1'DCA2-0.2737.85310.5991.0015.44C100D
28ATOM29N1DCA2-1.0706.63510.8231.0014.48N100D
29ATOM30C2DCA2-1.4176.35512.1301.0013.03C100D
..........................................
418ATOM460N1DCB2314.63721.54122.6371.005.21N101D
419ATOM461C2DCB2315.61822.34222.0781.006.76C101D
420ATOM462O2DCB2316.70021.86621.7921.006.72O101D
421ATOM463N3DCB2315.31723.67721.9321.0010.02N101D
422ATOM464C4DCB2314.11524.23222.2501.007.10C101D
423ATOM465N4DCB2313.90425.54322.0331.000.00N101D
424ATOM466C5DCB2313.10823.37222.7771.007.82C101D
425ATOM467C6DCB2313.41422.06422.9301.004.87C101D
426ATOM468PDGB2415.96716.34724.4051.0028.28P101D
427ATOM469OP1DGB2416.20014.96423.8321.0027.79O101D
428ATOM470OP2DGB2415.04316.31225.5871.0022.79O101D
429ATOM471O5'DGB2417.29017.15924.7221.0028.58O101D
430ATOM472C5'DGB2418.24617.92023.9981.0016.71C101D
431ATOM473C4'DGB2418.91418.90724.9511.0012.60C101D
432ATOM474O4'DGB2418.37220.14724.7101.005.80O101D
433ATOM475C3'DGB2418.65418.70126.4321.0014.53C101D
434ATOM476O3'DGB2419.67817.87327.0241.0022.51O101D
435ATOM477C2'DGB2418.59320.09127.0361.0012.59C101D
436ATOM478C1'DGB2418.68120.99525.8601.008.49C101D
437ATOM479N9DGB2417.62722.01325.8221.0010.33N101D
438ATOM480C8DGB2416.31221.85426.1911.007.57C101D
439ATOM481N7DGB2415.57922.90426.0131.008.17N101D
440ATOM482C5DGB2416.46723.82425.4411.005.92C101D
441ATOM483C6DGB2416.25625.15925.0401.009.51C101D
442ATOM484O6DGB2415.19325.80525.1101.0011.38O101D
443ATOM485N1DGB2417.38025.78124.5511.009.55N101D
444ATOM486C2DGB2418.59825.14724.4361.009.22C101D
445ATOM487N2DGB2419.52025.99123.8901.000.67N101D
446ATOM488N3DGB2418.85123.87924.7801.001.61N101D
447ATOM489C4DGB2417.73423.30125.3011.007.73C101D
-

856 rows × 13 columns

-
- - - - -## We used mdtraj package to load pdb file into memory from URL - ->MDTraj is a python library that allows users to manipulate molecular dynamics (MD) trajectories. Features include: -1. Wide MD format support, including pdb, xtc, trr, dcd, binpos, netcdf, mdcrd, prmtop, and more. -2. Extremely fast RMSD calculations (4x the speed of the original Theobald QCP). -3. Extensive analysis functions including those that compute bonds, angles, dihedrals, hydrogen bonds, secondary structure, and NMR observables. -4. Lightweight, Pythonic API. - - -```python -import mdtraj as md # import this package -``` - - -```python -pdb = md.load_pdb("https://files.rcsb.org/view/4LZA.pdb") # load data -``` - - -```python -print(pdb) # print to see how many frames and atoms, residues this file has -``` - - - - -## We convert this pdb file into topology - - -```python -topology = pdb.topology -``` - - -```python -table, bonds = topology.to_dataframe() -``` - - -```python -print(table.head(7)) -``` - - serial name element resSeq resName chainID segmentID - 0 1 N N 0 THR 0 - 1 2 CA C 0 THR 0 - 2 3 C C 0 THR 0 - 3 4 O O 0 THR 0 - 4 5 CB C 0 THR 0 - 5 6 OG1 O 0 THR 0 - 6 7 CG2 C 0 THR 0 - - - -```python -topology.atom(10) -``` - - - - - LEU1-O - - - - -```python -topology.atoms -``` - - - - - - - - - -```python -[i for i in topology.atoms][:10] -``` - - - - - [THR0-N, - THR0-CA, - THR0-C, - THR0-O, - THR0-CB, - THR0-OG1, - THR0-CG2, - LEU1-N, - LEU1-CA, - LEU1-C] - - - - -```python -print(table.head(10)) -``` - - serial name element resSeq resName chainID segmentID - 0 1 N N 0 THR 0 - 1 2 CA C 0 THR 0 - 2 3 C C 0 THR 0 - 3 4 O O 0 THR 0 - 4 5 CB C 0 THR 0 - 5 6 OG1 O 0 THR 0 - 6 7 CG2 C 0 THR 0 - 7 8 N N 1 LEU 0 - 8 9 CA C 1 LEU 0 - 9 10 C C 1 LEU 0 - - - -```python -atom = pdb.atom_slice(range(2833)) -``` - - -```python -print(atom) -``` - - - - - -```python -atom.xyz -``` - - - - - array([[[-2.7785, 0.5217, -2.1426], - [-2.7459, 0.5049, -1.9974], - [-2.5949, 0.513 , -1.9667], - ..., - [-0.6332, -1.3026, -0.3481], - [-0.8265, -1.4563, -0.0902], - [-2.8824, 1.244 , -0.1084]]], dtype=float32) - - - - -```python -[i for i in topology.bonds][:10] -``` - - - - - [Bond(THR0-CA, THR0-C), - Bond(THR0-C, THR0-O), - Bond(THR0-CA, THR0-CB), - Bond(THR0-N, THR0-CA), - Bond(THR0-CB, THR0-CG2), - Bond(THR0-CB, THR0-OG1), - Bond(THR0-C, LEU1-N), - Bond(LEU1-CA, LEU1-C), - Bond(LEU1-C, LEU1-O), - Bond(LEU1-CA, LEU1-CB)] - - diff --git a/README.md b/README.md index f50d3b7..4c28ee7 100644 --- a/README.md +++ b/README.md @@ -1,65 +1,12 @@ -**Download html file to view in a browser to have a full better view of jupyter notebook.** +# 6/28_log: Build a basic static web table showing PDB csv -**If you don't wanna downlaod, you can click `ipynb` file in `code` tab to view part of them within GitHub directly.** +**We used [vs code](https://code.visualstudio.com/) as our development IDE and *Google Chrome* as our interpreter.** -# database_construction -This git repo is used to build the workflow for merging two existing databases, protein structure databank and kinetics databank. +1. Setting up environment using online https://datatables.net/manual/installation resource +1. Creating the main.html and adding jQuery.js following above online resource +2. Using online https://www.convertcsv.com/csv-to-html.htm to convert the PDB csv file to html formatted table +3. Inserting above table into main.html +4. Run this code and debug it as a preview +![](./screenshots/PDB_static_preview.png) -## The second week - -Problems: how to pull pdb data from URL and extract useful data, like `atom` and `SEQRES`. -Two parts are focus in this week. - -1. The first part is to research on the documentation of package `pypdb` which is "A Python API for the RCSB Protein Data Bank". So I looked all the function, find `get_pdb_file()` function which can download specific pdb entry in specific format. -2. The next part is that I didn't find any related function in package `pypdb` which is able to solve our problems. So I wrote my own function using basic way, like list and loop to solve this probelm and get a list of `atom` and `SEQRES` which is what we want. - -## The third week - -Problems: I want to change the list I got into a dataframe which is doable and add columns to include id then merge multiple pdb. file. - -This week from 2020.10.11 to 2020.10.12, I worked on how to use `pandas` package to manipulate data, like mergeing two data frames. - -1. So I first used `split()` function to convert all the lists I got from last week into a `pandas` dataframs. I used `split()` to split a long string by white space. Then use `pd.DataFrame()` function to convert it. And use `concat()` to merge multiple dataframes. - -2. I look around `MdTraj` package to do some data manipulation, like loading pdb file into memroy from URL, getting topology strcture to convert atoms into `pandas` dataframe, using `stom_slice()` to slice atoms by indexs and so on. - -## The fourth week - -Problems: We want to include all atoms and hetatms into one data frame. - -1. I wrote two functions to return all info. - * `get_all_atom()` would return all atom, inclduing hetatm, ter, namely the whole part will be returned. - * `get_atom_and_hetatm()` only return atom and hetatm. - -2. I wrote a class of one pdb file which has all the methods which can return the desired attribution of one pdb file. And I tested all of them. They worked well. - -## The fifth week - -Problems: We want to create two tables for each pdb file, one is called general table, another is called atom_htmatm table and merge multiple of them into one longer table. - -1. I wrote one function called `get_general_table()` which gets all the desired fields inclduing residue sequences. - -2. Another function is called `get_atom_hetatm_table()` which only includes atom and htmatm, this table also joins with another atom mass table, the final table can show each atom mass. - -At last, I fixed a bug from the previous week, our `get_missing_residue()` function can accommodate more missing residue types. - -## The eighth week - -1. I found a bug in `get_enzyme_type()` method, some PDB files have multiple words for enzyme type splitted by one white space. So I chose the Date as the separator to clip the enzyme type on the first line. - -2. The second bug is in `get_general_table()` method, some PDB files don't have missing residues parts, so I added `if isinstance(Missing, str) or Missing is None:` extra condition to deal with this situation when it doesn't have missing residues. - -3. I added one extra column `name` which is the original sign of atom side by the full atomic name column called `Name` in the data frame returned by `get_atom_hetatm_table()` method at the same time I changed the function from `join()` to `merge()` when I concatenate two pandas data frames. - -4. Show the atomic table in the file which can be used to merge with atom and hetatm table. - -5. **We found that the average time of process random 100 PDB files is 248.84s. So from the formula, we have in the email you sent me, I calculated we need around 5 days to extract all general table and atom and hetatm tabled of 170k PDB files.** - -6. I found that there were a couple of PDB files which are None, so I wrote some control flows to raise warnings when the PDB files are `None`. After searching on the RCSB PDB [https://www.rcsb.org/structure/4U20](https://www.rcsb.org/structure/4U20) website, we found that this PDB has a corresponding file, but because of the huge file size, we can't access the PDB format as other files. It only provides PDBx format which is beyond our current class capacity. - -7. I also found there are some PDB files which have a PDB format file but lack some desired fields. I wrote some control flows to handle the issue. When the field we want is a lack in the PDB file, we raise warnings to tell users that this field is missing in this file. - -8. I found another bug in `get_name()` method when the name in the PDB file has multiple lines to be recorded. So I added additional codes to deal with this situation `if ";" in res:`. We can test this situation using `pdb("100d").get_name()` and we get the result `DNA/RNA (5'-R(*CP*)-D(*CP*GP*GP*CP*GP*CP*CP*GP*)-R(*G)-3')`. - -9. *We want to write a check function or process, but I have my own opinion,* first, I found this is a very hard process, because there are a lot of PDB files and their formats in PDB file are not unified, there is no standard format in these PDB files. So a function or process which can check each entry extracted from these methods is still biased and not accurate. 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3.1.1.25P27169Homo sapiensdelta-valerolactone298.15H115W0.53.1.1.25_P27169_Homo sapiens_delta-valerolactone_298.15_H115W4e-043.1.1.25_P27169_Homo sapiens_delta-valerolactone_298.1529.80.00151V04115H11513.228278604848511.58951727214111.63876133270735IHWHisTrp1V04_H115W_1.63876133270735_delta-valerolactonea 1,4-lactone + H2O = a 4-hydroxyacid
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15D248A0.00133.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_D248A0.0001163.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248D25016.30018464988788.250243453203578.04994119668424IDAAspAla4D8L_D248A_8.04994119668424_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15D248N0.0233.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_D248N6.6e-053.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248D25014.22961506463448.250243453203575.97937161143083IDNAspAsn4D8L_D248N_5.97937161143083_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15H180A83.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_H180A0.0002143.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248H18211.41305463973488.250243453203573.16281118653126IHAHisAla4D8L_H180A_3.16281118653126_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15H180C323.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_H180C4.1e-053.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248H1829.582470823293448.250243453203571.33222737008987IHCHisCys4D8L_H180C_1.33222737008987_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15H31N0.43.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_H31N0.000723.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248H3313.94866040715378.250243453203575.69841695395014IHNHisAsn4D8L_H31N_5.69841695395014_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15H33N3.63.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_H33N8.9e-053.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248H3511.36556440691338.250243453203573.11532095370972IHNHisAsn4D8L_H33N_3.11532095370972_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15R124M0.023.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_R124M9e-053.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248R12614.5006556413358.250243453203576.25041218813139IRMArgMet4D8L_R124M_6.25041218813139_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15R130M53.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_R130M0.0004653.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248R13212.16371371385748.250243453203573.91347026065385IRMArgMet4D8L_R130M_3.91347026065385_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15R183M1963.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_R183M6.4e-053.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248R1858.758916845381338.250243453203570.508673392177759IRMArgMet4D8L_R183M_0.508673392177759_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15R217M0.423.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_R217M6.7e-053.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248R21912.48877773239368.250243453203574.23853427919004IRMArgMet4D8L_R217M_4.23853427919004_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15Y156F8.73.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_Y156F0.0002383.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248Y15811.4265568668888.250243453203573.17631341368444IYFTyrPhe4D8L_Y156F_3.17631341368444_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.57O87170Sphingomonas paucimobilis2-Pyrone-4,6-dicarboxylate303.15Y49F263.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.15_Y49F0.0002173.1.1.57_O87170_Sphingomonas paucimobilis_2-Pyrone-4,6-dicarboxylate_303.153424.8e-054D8L248Y5110.71139150395948.250243453203572.46114805075581IYFTyrPhe4D8L_Y49F_2.46114805075581_2-Pyrone-4,6-dicarboxylate2-oxo-2H-pyran-4,6-dicarboxylate + H2O = (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15D74E7333.333333.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_D74E5e-043.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447D747.732039970964356.992913344927110.739126626037231IDEAspGlu6O5V_D74E_0.739126626037231_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15D74N4166.666673.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_D74N6e-043.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447D748.17797608563926.992913344927111.18506274071208IDNAspAsn6O5V_D74N_1.18506274071208_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15E285A6333.333333.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_E285A0.000283.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447E2857.47364365582376.992913344927110.480730310896587NEAGluAla6O5V_E285A_0.480730310896587_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15F295A50003.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_F295A0.000133.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447F2957.157002014764646.992913344927110.16408866983753NFAPheAla6O5V_F295A_0.16408866983753_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15F297A20003.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_F297A0.000553.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447F2978.563861854103716.992913344927111.57094850917659IFAPheAla6O5V_F297A_1.57094850917659_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15F338A2833.333333.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_F338A0.000143.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447F3387.539985525420066.992913344927110.547072180492949IFAPheAla6O5V_F338A_0.547072180492949_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15W286A60003.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_W286A0.000243.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447W2867.413947671657236.992913344927110.421034326730118NWATrpAla6O5V_W286A_0.421034326730118_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15W86A1333.333333.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_W86A0.0933.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447W8611.86581701789696.992913344927114.87290367296978IWATrpAla6O5V_W86A_4.87290367296978_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15Y124A4166.666673.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_Y124A0.000253.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447Y1247.655792216676196.992913344927110.662878871749077IYATyrAla6O5V_Y124A_0.662878871749077_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15Y337A1666.666673.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_Y337A0.000123.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447Y3377.764540103646056.992913344927110.771626758718934IYATyrAla6O5V_Y337A_0.771626758718934_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15Y337F6666.666673.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_Y337F0.000163.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447Y3377.109259577767226.992913344927110.116346232840105NYFTyrPhe6O5V_Y337F_0.116346232840105_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15Y341A4166.666673.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_Y341A3e-043.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447Y3417.76454010436186.992913344927110.771626759434688IYATyrAla6O5V_Y341A_0.771626759434688_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensAcetylthiocholine;H2O300.15Y72A6333.333333.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.15_Y72A0.000133.1.1.7_P22303_Homo sapiens_Acetylthiocholine;H2O_300.156583.3333350.000136O5V203,334,447Y727.016005082301616.992913344927110.0230917373744974NYATyrAla6O5V_Y72A_0.0230917373744974_Acetylthiocholine;H2OH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensButyrylthiocholine;H2O300.15Y337A503.1.1.7_P22303_Homo sapiens_Butyrylthiocholine;H2O_300.15_Y337A0.000273.1.1.7_P22303_Homo sapiens_Butyrylthiocholine;H2O_300.151253e-046O5V203,334,447Y33710.33975787234319.856068781350850.483689090992261NYATyrAla6O5V_Y337A_0.483689090992261_Butyrylthiocholine;H2OH2O + Butyrylthiocholine = Butanoate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15D74G60003.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_D74G0.000633.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447D747.989581791593386.992913344927110.996668446666267IDGAspGly6O5V_D74G_0.996668446666267_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15D74K5833.333333.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_D74K0.00453.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447D749.179096335689136.992913344927112.18618299076202IDKAspLys6O5V_D74K_2.18618299076202_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15D74N4333.3333353.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_D74N0.000593.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447D748.144557611236616.992913344927111.15164426630949IDNAspAsn6O5V_D74N_1.15164426630949_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15E202A166.6666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_E202A0.000663.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447E20210.15476222992476.992913344927113.16184888499759IEAGluAla6O5V_E202A_3.16184888499759_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15E202D2503.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_E202D0.000253.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447E2029.333884912387846.992913344927112.34097156746073IEDGluAsp6O5V_E202D_2.34097156746073_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15E202Q933.3333333.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_E202Q0.000353.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447E2028.748857495542216.992913344927111.75594415061509IEQGluGln6O5V_E202Q_1.75594415061509_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15E285A6333.333333.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_E285A0.000283.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447E2857.47364365582376.992913344927110.480730310896587NEAGluAla6O5V_E285A_0.480730310896587_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15F295A5666.6666653.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_F295A0.000133.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447F2957.082346951371686.992913344927110.0894336064445698NFAPheAla6O5V_F295A_0.0894336064445698_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15F295L20003.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_F295L2e-043.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447F2957.960480310745146.992913344927110.96756696581803IFLPheLeu6O5V_F295L_0.96756696581803_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15F297A20003.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_F297A0.000313.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447F2978.221882740850696.992913344927111.22896939592358IFAPheAla6O5V_F297A_1.22896939592358_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15F297V3666.666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_F297V0.00123.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447F2978.667659820391396.992913344927111.67474647546427IFVPheVal6O5V_F297V_1.67474647546427_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15F338A2833.333333.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_F338A0.0002366666666666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447F3387.853134215334586.992913344927110.86022087040747IFAPheAla6O5V_F338A_0.86022087040747_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15W286A6055.555556666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_W286A0.0002466666666666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447W2867.424792734678526.992913344927110.431879389751402NWATrpAla6O5V_W286A_0.431879389751402_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15W86A2944.444443333333.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_W86A0.06214666666666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447W8611.15284184711976.992913344927114.15992850219262IWATrpAla6O5V_W86A_4.15992850219262_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15Y124A4166.666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_Y124A0.000253.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447Y1247.655792216676196.992913344927110.662878871749077IYATyrAla6O5V_Y124A_0.662878871749077_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15Y337A1666.666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_Y337A0.000123.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447Y3377.764540103646056.992913344927110.771626758718934IYATyrAla6O5V_Y337A_0.771626758718934_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15Y337F6333.333336666673.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_Y337F0.0001833333333333333.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447Y3377.221051755151396.992913344927110.228138410224275NYFTyrPhe6O5V_Y337F_0.228138410224275_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15Y341A47503.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_Y341A0.000353.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447Y3417.778331749101566.992913344927110.785418404174442IYATyrAla6O5V_Y341A_0.785418404174442_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Acetylthiocholine300.15Y72A6333.333333.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.15_Y72A0.000133.1.1.7_P22303_Homo sapiens_H2O;Acetylthiocholine_300.156583.3333350.000136O5V203,334,447Y727.016005082301616.992913344927110.0230917373744974NYATyrAla6O5V_Y72A_0.0230917373744974_H2O;AcetylthiocholineH2O + Acetylthiocholine = Acetate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;Propionylthiocholine300.15F338A833.3333333.1.1.7_P22303_Homo sapiens_H2O;Propionylthiocholine_300.15_F338A0.000343.1.1.7_P22303_Homo sapiens_H2O;Propionylthiocholine_300.152666.666670.000256O5V203,334,447F3388.799163789011257.921985532028820.877178256982432IFAPheAla6O5V_F338A_0.877178256982432_H2O;PropionylthiocholineH2O + Propionylthiocholine = Propanoate + Thiocholine
3.1.1.7P22303Homo sapiensH2O;S-3,3-Dimethylbutyl thioacetate300.15F338A216.6666673.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15_F338A3e-043.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15866.6666670.000456O5V203,334,447F3389.527987020267148.942959603896710.585027416370432IFAPheAla6O5V_F338A_0.585027416370432_H2O;S-3,3-Dimethylbutyl thioacetateH2O + S-3,3-Dimethylbutyl thioacetate = Acetate + 3,3-Dimethylbutanethiol
3.1.1.7P22303Homo sapiensH2O;S-3,3-Dimethylbutyl thioacetate300.15W286A766.6666673.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15_W286A4e-043.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15866.6666670.000456O5V203,334,447W2868.94583412528538.942959603896710.00287452138859123NWATrpAla6O5V_W286A_0.00287452138859123_H2O;S-3,3-Dimethylbutyl thioacetateH2O + S-3,3-Dimethylbutyl thioacetate = Acetate + 3,3-Dimethylbutanethiol
3.1.1.7P22303Homo sapiensH2O;S-3,3-Dimethylbutyl thioacetate300.15W86A466.6666673.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15_W86A0.000553.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15866.6666670.000456O5V203,334,447W869.431885445099088.942959603896710.48892584120237NWATrpAla6O5V_W86A_0.48892584120237_H2O;S-3,3-Dimethylbutyl thioacetateH2O + S-3,3-Dimethylbutyl thioacetate = Acetate + 3,3-Dimethylbutanethiol
3.1.1.7P22303Homo sapiensH2O;S-3,3-Dimethylbutyl thioacetate300.15Y337A1383.333333.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15_Y337A5e-043.1.1.7_P22303_Homo sapiens_H2O;S-3,3-Dimethylbutyl thioacetate_300.15866.6666670.000456O5V203,334,447Y3378.726899359260338.94295960389671-0.216060244636381NYATyrAla6O5V_Y337A_-0.216060244636381_H2O;S-3,3-Dimethylbutyl thioacetateH2O + S-3,3-Dimethylbutyl thioacetate = Acetate + 3,3-Dimethylbutanethiol
3.1.1.7P22303Homo sapiensH2O;S-Propyl thioacetate300.15W286A1603.1.1.7_P22303_Homo sapiens_H2O;S-Propyl thioacetate_300.15_W286A0.00823.1.1.7_P22303_Homo sapiens_H2O;S-Propyl thioacetate_300.15183.3333330.0116O5V203,334,447W28611.681986340472311.7760060231659-0.0940196826936273NWATrpAla6O5V_W286A_-0.0940196826936273_H2O;S-Propyl thioacetateH2O + S-Propyl thioacetate = Acetate + Propane-1-thiol
3.1.1.7P22303Homo sapiensH2O;S-Propyl thioacetate300.15W86A23.33333333.1.1.7_P22303_Homo sapiens_H2O;S-Propyl thioacetate_300.15_W86A0.01153.1.1.7_P22303_Homo sapiens_H2O;S-Propyl thioacetate_300.15183.3333330.0116O5V203,334,447W8613.032080401198211.77600602316591.25607437803223IWATrpAla6O5V_W86A_1.25607437803223_H2O;S-Propyl thioacetateH2O + S-Propyl thioacetate = Acetate + Propane-1-thiol
3.1.1.7P22303Homo sapiensH2O;S-Propyl thioacetate300.15Y337A2503.1.1.7_P22303_Homo sapiens_H2O;S-Propyl thioacetate_300.15_Y337A0.013.1.1.7_P22303_Homo sapiens_H2O;S-Propyl thioacetate_300.15183.3333330.0116O5V203,334,447Y33711.534161476585311.7760060231659-0.241844546580605NYATyrAla6O5V_Y337A_-0.241844546580605_H2O;S-Propyl thioacetateH2O + S-Propyl thioacetate = Acetate + Propane-1-thiol
3.1.1.7P22303Homo sapiensp-Nitrophenyl acetate;H2O300.15W286A2166.666673.1.1.7_P22303_Homo sapiens_p-Nitrophenyl acetate;H2O_300.15_W286A0.00463.1.1.7_P22303_Homo sapiens_p-Nitrophenyl acetate;H2O_300.151833.333330.00566O5V203,334,447W2869.782941149299839.99991279479417-0.216971645494336NWATrpAla6O5V_W286A_-0.216971645494336_p-Nitrophenyl acetate;H2OH2O + p-Nitrophenyl acetate = Acetate + p-Nitrophenol
3.1.1.73O42807Aspergillus nigerferulate313.15D93G843.1.1.73_O42807_Aspergillus niger_ferulate_313.15_D93G0.012873.1.1.73_O42807_Aspergillus niger_ferulate_313.15620.01441UWC133,194,247D9312.895827843650913.1547101190708-0.258882275419904NDGAspGly1UWC_D93G_-0.258882275419904_ferulateferuloyl-polysaccharide + H2O = ferulate + polysaccharide
3.1.1.84Q9L9D7Rhodococcus sp.cocaine310.15G173Q1210.053.1.1.84_Q9L9D7_Rhodococcus sp._cocaine_310.15_G173Q9.35e-063.1.1.84_Q9L9D7_Rhodococcus sp._cocaine_310.15806.4166666666671.4e-053I2K117,259,287G1736.667800363596967.16672126169454-0.498920898097577NGQGlyGln3I2K_G173Q_-0.498920898097577_cocainecocaine + H2O = ecgonine methyl ester + benzoate
3.1.1.84Q9L9D7Rhodococcus sp.cocaine310.15L169K80.13.1.1.84_Q9L9D7_Rhodococcus sp._cocaine_310.15_L169K4.4e-053.1.1.84_Q9L9D7_Rhodococcus sp._cocaine_310.15806.4166666666671.4e-053I2K117,259,287L1699.295821165407387.166721261694542.12909990371284ILKLeuLys3I2K_L169K_2.12909990371284_cocainecocaine + H2O = ecgonine methyl ester + benzoate
3.1.2.12P40363Saccharomyces cerevisiae4-nitrophenylacetate295.15C60S1.533.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylacetate_295.15_C60S0.000193.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylacetate_295.151.84e-041PV1161,241,276C6011.996630395522512.3379424967289-0.341312101206443NCSCysSer1PV1_C60S_-0.341312101206443_4-nitrophenylacetateS-formylglutathione + H2O = glutathione + formate
3.1.2.12P40363Saccharomyces cerevisiae4-nitrophenylacetate295.15M162H0.13.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylacetate_295.15_M162H9e-043.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylacetate_295.151.84e-041PV1161,241,276M16214.508852241972312.33794249672892.17090974524337IMHMetHis1PV1_M162H_2.17090974524337_4-nitrophenylacetateS-formylglutathione + H2O = glutathione + formate
3.1.2.12P40363Saccharomyces cerevisiae4-nitrophenylacetate295.15W197I1.053.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylacetate_295.15_W197I5.4e-053.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylacetate_295.151.84e-041PV1161,241,276W19711.479571118381912.3379424967289-0.858371378347023DWITrpIle1PV1_W197I_-0.858371378347023_4-nitrophenylacetateS-formylglutathione + H2O = glutathione + formate
3.1.2.12P40363Saccharomyces cerevisiae4-nitrophenylbutyrate295.15C60S0.0783.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylbutyrate_295.15_C60S0.000193.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylbutyrate_295.150.29e-051PV1161,241,276C6013.742315973237712.75177745253740.990538520700303ICSCysSer1PV1_C60S_0.990538520700303_4-nitrophenylbutyrateS-formylglutathione + H2O = glutathione + formate
3.1.2.12P40363Saccharomyces cerevisiae4-nitrophenylbutyrate295.15M162H0.0033.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylbutyrate_295.15_M162H0.000143.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylbutyrate_295.150.29e-051PV1161,241,276M16215.474159948989612.75177745253742.72238249645221IMHMetHis1PV1_M162H_2.72238249645221_4-nitrophenylbutyrateS-formylglutathione + H2O = glutathione + formate
3.1.2.12P40363Saccharomyces cerevisiae4-nitrophenylbutyrate295.15W197I1.923.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylbutyrate_295.15_W197I4e-053.1.2.12_P40363_Saccharomyces cerevisiae_4-nitrophenylbutyrate_295.150.29e-051PV1161,241,276W19710.949563013494212.7517774525374-1.80221443904328DWITrpIle1PV1_W197I_-1.80221443904328_4-nitrophenylbutyrateS-formylglutathione + H2O = glutathione + formate
3.1.2.2P0ADA1Escherichia coliH2O;Lauroyl-CoA310.15D154A0.453.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.15_D154A5.9e-053.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.1510.130.0001465TIF10,154,157D15412.670331718088511.30950294736711.3608287707214IDAAspAla5TIF_D154A_1.3608287707214_H2O;Lauroyl-CoAH2O + Lauroyl-CoA = Coenzyme A + Dodecanoate
3.1.2.2P0ADA1Escherichia coliH2O;Lauroyl-CoA310.15G44A0.773.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.15_G44A7.5e-053.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.1510.130.0001465TIF10,154,157G4412.487161971130911.30950294736711.1776590237638IGAGlyAla5TIF_G44A_1.1776590237638_H2O;Lauroyl-CoAH2O + Lauroyl-CoA = Coenzyme A + Dodecanoate
3.1.2.2P0ADA1Escherichia coliH2O;Lauroyl-CoA310.15N73A1.143.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.15_N73A8.5e-053.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.1510.130.0001465TIF10,154,157N7312.322459062138211.30950294736711.01295611477106INAAsnAla5TIF_N73A_1.01295611477106_H2O;Lauroyl-CoAH2O + Lauroyl-CoA = Coenzyme A + Dodecanoate
3.1.2.2P0ADA1Escherichia coliH2O;Lauroyl-CoA310.15S10A0.0573.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.15_S10A0.0001273.1.2.2_P0ADA1_Escherichia coli_H2O;Lauroyl-CoA_310.1510.130.0001465TIF10,154,157S1014.416311485258411.30950294736713.10680853789131ISASerAla5TIF_S10A_3.10680853789131_H2O;Lauroyl-CoAH2O + Lauroyl-CoA = Coenzyme A + Dodecanoate
3.1.2.2P0ADA1Escherichia coliH2O;N-Carbobenzoxy-L-tyrosine p-nitrophenyl ester310.15D154A6.443.1.2.2_P0ADA1_Escherichia coli_H2O;N-Carbobenzoxy-L-tyrosine p-nitrophenyl ester_310.15_D154A4.3e-053.1.2.2_P0ADA1_Escherichia coli_H2O;N-Carbobenzoxy-L-tyrosine p-nitrophenyl ester_310.1588.990.0001745TIF10,154,157D15410.835274647910410.07832982538420.756944822526148IDAAspAla5TIF_D154A_0.756944822526147_H2O;N-Carbobenzoxy-L-tyrosine p-nitrophenyl esterH2O + N-Carbobenzoxy-L-tyrosine p-nitrophenyl ester = p-Nitrophenol + N-Carbobenzoxy-L-tyrosine
3.1.2.2P0ADA1Escherichia coliH2O;p-Nitrophenyl butyrate310.15D154A5.983.1.2.2_P0ADA1_Escherichia coli_H2O;p-Nitrophenyl butyrate_310.15_D154A0.001883.1.2.2_P0ADA1_Escherichia coli_H2O;p-Nitrophenyl butyrate_310.1515.290.000875TIF10,154,157D15413.209353762074412.15584618359971.05350757847464IDAAspAla5TIF_D154A_1.05350757847464_H2O;p-Nitrophenyl butyrateH2O + p-Nitrophenyl butyrate = Butanoate + p-Nitrophenol
3.1.3.11P36136Saccharomyces cerevisiaeD-fructose1,6-bisphosphate303.15H178A0.53.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.15_H178A0.00153.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.154.92e-043F3K13,99H17814.256393859002311.66760737275512.58878648624722IHAHisAla3F3K_H178A_2.58878648624722_D-fructose1,6-bisphosphateD-fructose 1,6-bisphosphate + H2O = D-fructose 6-phosphate + phosphate
3.1.3.11P36136Saccharomyces cerevisiaeD-fructose1,6-bisphosphate303.15H244A2.83.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.15_H244A0.00233.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.154.92e-043F3K13,99H24413.476060862472411.66760737275511.80845348971729IHAHisAla3F3K_H244A_1.80845348971729_D-fructose1,6-bisphosphateD-fructose 1,6-bisphosphate + H2O = D-fructose 6-phosphate + phosphate
3.1.3.11P36136Saccharomyces cerevisiaeD-fructose1,6-bisphosphate303.15R181A1.63.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.15_R181A0.00143.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.154.92e-043F3K13,99R18113.514121328853511.66760737275511.84651395609848IRAArgAla3F3K_R181A_1.84651395609848_D-fructose1,6-bisphosphateD-fructose 1,6-bisphosphate + H2O = D-fructose 6-phosphate + phosphate
3.1.3.11P36136Saccharomyces cerevisiaeD-fructose1,6-bisphosphate303.15R69A1.83.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.15_R69A3e-043.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.154.92e-043F3K13,99R6912.515165469506911.66760737275510.84755809675187IRAArgAla3F3K_R69A_0.84755809675187_D-fructose1,6-bisphosphateD-fructose 1,6-bisphosphate + H2O = D-fructose 6-phosphate + phosphate
3.1.3.11P36136Saccharomyces cerevisiaeD-fructose1,6-bisphosphate303.15S19A2.93.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.15_S19A7e-043.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.154.92e-043F3K13,99S1912.738287409840611.66760737275511.07068003708556ISASerAla3F3K_S19A_1.07068003708556_D-fructose1,6-bisphosphateD-fructose 1,6-bisphosphate + H2O = D-fructose 6-phosphate + phosphate
3.1.3.11P36136Saccharomyces cerevisiaeD-fructose1,6-bisphosphate303.15Y24A0.73.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.15_Y24A6e-043.1.3.11_P36136_Saccharomyces cerevisiae_D-fructose1,6-bisphosphate_303.154.92e-043F3K13,99Y2413.501699781988311.66760737275511.83409240923328IYATyrAla3F3K_Y24A_1.83409240923328_D-fructose1,6-bisphosphateD-fructose 1,6-bisphosphate + H2O = D-fructose 6-phosphate + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15D336A0.0943.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_D336A4.6e-053.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215D33612.800960183636210.75688684566742.04407333796881IDAAspAla5E0O_D336A_2.04407333796881_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15D378A113.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_D378A0.000273.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215D37811.04573709573610.75688684566740.288850250068656NDAAspAla5E0O_D378A_0.288850250068656_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15E384A33.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_E384A1e-043.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215E38411.225232349896810.75688684566740.468345504229401NEAGluAla5E0O_E384A_0.468345504229401_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15E386A23.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_E386A8.2e-053.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215E38611.34665153721610.75688684566740.589764691548654IEAGluAla5E0O_E386A_0.589764691548654_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15K334A0.063.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_K334A5e-043.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215K33414.463712592363810.75688684566743.70682574669644IKALysAla5E0O_K334A_3.70682574669644_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15N228A183.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_N228A4e-053.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215N2289.6368905681942110.7568868456674-1.11999627747316DNAAsnAla5E0O_N228A_-1.11999627747316_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15R337A0.283.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_R337A4e-043.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215R33713.429322075643510.75688684566742.6724352299761IRAArgAla5E0O_R337A_2.6724352299761_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15S329A43.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_S329A0.000253.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215S32911.593927656096910.75688684566740.837040810429491ISASerAla5E0O_S329A_0.837040810429491_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.12A8NS89Brugia malayiTrehalose6-phosphate295.15Y221A13.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15_Y221A0.000333.1.3.12_A8NS89_Brugia malayi_Trehalose6-phosphate_295.15240.000365E0O215Y22112.569863531139110.75688684566741.81297668547176IYATyrAla5E0O_Y221A_1.81297668547176_Trehalose6-phosphatealpha,alpha-trehalose 6-phosphate + H2O = alpha,alpha-trehalose + phosphate
3.1.3.48P11064Bos taurusH2O;4-Nitrophenyl phosphate310.15C17A11.83.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.15_C17A0.0006353.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.1522.10.000135JNV12,18,129C1712.121474013101710.75717602748851.36429798561323ICACysAla5JNV_C17A_1.36429798561323_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P11064Bos taurusH2O;4-Nitrophenyl phosphate310.15D48T26.13.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.15_D48T0.000213.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.1522.10.000135JNV12,18,129D4810.950221365913510.75717602748850.193045338425083NDTAspThr5JNV_D48T_0.193045338425083_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P11064Bos taurusH2O;4-Nitrophenyl phosphate310.15N50E20.43.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.15_N50E1e-043.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.1522.10.000135JNV12,18,129N5010.644805021772410.7571760274885-0.112371005716117NNEAsnGlu5JNV_N50E_-0.112371005716117_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P11064Bos taurusH2O;4-Nitrophenyl phosphate310.15R53N11.53.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.15_R53N0.00113.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.1522.10.000135JNV12,18,129R5312.475985087286810.75717602748851.71880905979829IRNArgAsn5JNV_R53N_1.71880905979829_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P11064Bos taurusH2O;4-Nitrophenyl phosphate310.15R64K19.83.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.15_R64K0.000543.1.3.48_P11064_Bos taurus_H2O;4-Nitrophenyl phosphate_310.1522.10.000135JNV12,18,129R6411.702589725541510.75717602748850.945413698053056IRKArgLys5JNV_R64K_0.945413698053056_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P11064Bos taurusH2O;Phosphotyrosine310.15K73I13.63.1.3.48_P11064_Bos taurus_H2O;Phosphotyrosine_310.15_K73I0.005213.1.3.48_P11064_Bos taurus_H2O;Phosphotyrosine_310.1513.250.0032155JNV12,18,129K7313.33117766825113.04971001978290.281467648468174NKILysIle5JNV_K73I_0.281467648468174_H2O;PhosphotyrosineH2O + Phosphotyrosine = Phosphate + Tyrosine
3.1.3.48P11064Bos taurusH2O;Phosphotyrosine310.15R64K73.1.3.48_P11064_Bos taurus_H2O;Phosphotyrosine_310.15_R64K0.009123.1.3.48_P11064_Bos taurus_H2O;Phosphotyrosine_310.1513.250.0032155JNV12,18,129R6414.085601259838413.04971001978291.03589124005558IRKArgLys5JNV_R64K_1.03589124005558_H2O;PhosphotyrosineH2O + Phosphotyrosine = Phosphate + Tyrosine
3.1.3.48P15273Yersinia enterocoliticaH2O;4-Nitrophenyl phosphate303.15R216A1933.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.15_R216A0.004393.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.153450.00261LYV403R21611.315377570256710.64989699324710.665480577009589IRAArgAla1LYV_R216A_0.665480577009589_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P15273Yersinia enterocoliticaH2O;4-Nitrophenyl phosphate303.15R228K743.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.15_R228K0.008513.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.153450.00261LYV403R22812.291627921237110.64989699324711.64173092799008IRKArgLys1LYV_R228K_1.64173092799007_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P15273Yersinia enterocoliticaH2O;4-Nitrophenyl phosphate303.15R295A3613.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.15_R295A0.002333.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.153450.00261LYV403R29510.556535348101110.6498969932471-0.0933616451459862NRAArgAla1LYV_R295A_-0.0933616451459862_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48P15273Yersinia enterocoliticaH2O;4-Nitrophenyl phosphate303.15R437K2833.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.15_R437K0.003613.1.3.48_P15273_Yersinia enterocolitica_H2O;4-Nitrophenyl phosphate_303.153450.00261LYV403R43710.966948868874110.64989699324710.317051875627001NRKArgLys1LYV_R437K_0.317051875627001_H2O;4-Nitrophenyl phosphateH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiae4-Nitrophenyl phosphate;H2O303.15D129N0.133.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.15_D129N0.000873.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.154.50.01066G85283D12914.739746373209214.11070631621760.629040056991618IDNAspAsn6G85_D129N_0.629040056991618_4-Nitrophenyl phosphate;H2OH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiae4-Nitrophenyl phosphate;H2O303.15D143N3.53.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.15_D143N0.00963.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.154.50.01066G85283D14314.202409372637114.11070631621760.0917030564194903NDNAspAsn6G85_D143N_0.0917030564194903_4-Nitrophenyl phosphate;H2OH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiae4-Nitrophenyl phosphate;H2O303.15D253A0.0073.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.15_D253A0.000113.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.154.50.01066G85283D25315.253982127115714.11070631621761.14327581089811IDAAspAla6G85_D253A_1.14327581089811_4-Nitrophenyl phosphate;H2OH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiae4-Nitrophenyl phosphate;H2O303.15D253N0.093.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.15_D253N0.005753.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.154.50.01066G85283D25316.098926668013514.11070631621761.98822035179583IDNAspAsn6G85_D253N_1.98822035179583_4-Nitrophenyl phosphate;H2OH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiae4-Nitrophenyl phosphate;H2O303.15D50N0.143.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.15_D50N4e-043.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.154.50.01066G85283D5014.227001508780314.11070631621760.116295192562637NDNAspAsn6G85_D50N_0.116295192562637_4-Nitrophenyl phosphate;H2OH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiae4-Nitrophenyl phosphate;H2O303.15E168Q4.73.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.15_E168Q0.01293.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.154.50.01066G85283E16814.202809787194514.11070631621760.0921034709769319NEQGluGln6G85_E168Q_0.0921034709769319_4-Nitrophenyl phosphate;H2OH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiae4-Nitrophenyl phosphate;H2O303.15E308Q43.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.15_E308Q0.01133.1.3.48_Q00684_Saccharomyces cerevisiae_4-Nitrophenyl phosphate;H2O_303.154.50.01066G85283E30814.220185831912214.11070631621760.109479515694611NEQGluGln6G85_E308Q_0.109479515694611_4-Nitrophenyl phosphate;H2OH2O + 4-Nitrophenyl phosphate = Phosphate + p-Nitrophenol
3.1.3.48Q00684Saccharomyces cerevisiaeH2O;6,8-Difluoro-4-methylumbelliferyl phosphate303.15D177N1.13.1.3.48_Q00684_Saccharomyces cerevisiae_H2O;6,8-Difluoro-4-methylumbelliferyl phosphate_303.15_D177N7.1e-073.1.3.48_Q00684_Saccharomyces cerevisiae_H2O;6,8-Difluoro-4-methylumbelliferyl phosphate_303.158.11.05e-056G85283D1779.169427068205139.58950413877637-0.42007707057124NDNAspAsn6G85_D177N_-0.42007707057124_H2O;6,8-Difluoro-4-methylumbelliferyl phosphateH2O + 6,8-Difluoro-4-methylumbelliferyl phosphate = Phosphate + 6,8-Difluoro-4-methylumbelliferone
3.1.3.48Q00684Saccharomyces cerevisiaeH2O;6,8-Difluoro-4-methylumbelliferyl phosphate303.15D253A0.0073.1.3.48_Q00684_Saccharomyces cerevisiae_H2O;6,8-Difluoro-4-methylumbelliferyl phosphate_303.15_D253A7.9e-093.1.3.48_Q00684_Saccharomyces cerevisiae_H2O;6,8-Difluoro-4-methylumbelliferyl phosphate_303.158.11.05e-056G85283D2539.506033166134679.58950413877637-0.0834709726417042NDAAspAla6G85_D253A_-0.0834709726417042_H2O;6,8-Difluoro-4-methylumbelliferyl phosphateH2O + 6,8-Difluoro-4-methylumbelliferyl phosphate = Phosphate + 6,8-Difluoro-4-methylumbelliferone
3.1.3.48Q00684Saccharomyces cerevisiaeH2O;6,8-Difluoro-4-methylumbelliferyl phosphate303.15E308Q5.73.1.3.48_Q00684_Saccharomyces cerevisiae_H2O;6,8-Difluoro-4-methylumbelliferyl phosphate_303.15_E308Q8.7e-063.1.3.48_Q00684_Saccharomyces cerevisiae_H2O;6,8-Difluoro-4-methylumbelliferyl phosphate_303.158.11.05e-056G85283E3089.687907429492499.589504138776370.0984032907161243NEQGluGln6G85_E308Q_0.0984032907161243_H2O;6,8-Difluoro-4-methylumbelliferyl phosphateH2O + 6,8-Difluoro-4-methylumbelliferyl phosphate = Phosphate + 6,8-Difluoro-4-methylumbelliferone
3.1.3.82P63228Escherichia coliD-glycero-alpha-D-manno-heptose1,7-bisphosphate298.15C107A0.0423.1.3.82_P63228_Escherichia coli_D-glycero-alpha-D-manno-heptose1,7-bisphosphate_298.15_C107A3.2e-053.1.3.82_P63228_Escherichia coli_D-glycero-alpha-D-manno-heptose1,7-bisphosphate_298.154.66.7e-052GMW31,33C12713.199371036916110.85478779327692.34458324363917ICACysAla2GMW_C107A_2.34458324363917_D-glycero-alpha-D-manno-heptose1,7-bisphosphateD-glycero-beta-D-manno-heptose 1,7-bisphosphate + H2O = D-glycero-beta-D-manno-heptose 1-phosphate + phosphate
3.1.3.82P63228Escherichia coliD-glycero-alpha-D-manno-heptose1,7-bisphosphate298.15C109A0.0573.1.3.82_P63228_Escherichia coli_D-glycero-alpha-D-manno-heptose1,7-bisphosphate_298.15_C109A4.5e-053.1.3.82_P63228_Escherichia coli_D-glycero-alpha-D-manno-heptose1,7-bisphosphate_298.154.66.7e-052GMW31,33C12913.220430972060710.85478779327692.36564317878379ICACysAla2GMW_C109A_2.36564317878379_D-glycero-alpha-D-manno-heptose1,7-bisphosphateD-glycero-beta-D-manno-heptose 1,7-bisphosphate + H2O = D-glycero-beta-D-manno-heptose 1-phosphate + phosphate
3.1.3.82P63228Escherichia coliD-glycero-alpha-D-manno-heptose1,7-bisphosphate298.15C92A0.00173.1.3.82_P63228_Escherichia coli_D-glycero-alpha-D-manno-heptose1,7-bisphosphate_298.15_C92A3e-043.1.3.82_P63228_Escherichia coli_D-glycero-alpha-D-manno-heptose1,7-bisphosphate_298.154.66.7e-052GMW31,33C11216.425518195388810.85478779327695.5707304021119ICACysAla2GMW_C92A_5.5707304021119_D-glycero-alpha-D-manno-heptose1,7-bisphosphateD-glycero-beta-D-manno-heptose 1,7-bisphosphate + H2O = D-glycero-beta-D-manno-heptose 1-phosphate + phosphate
3.1.3.82P63228Escherichia coliD-glycero-beta-D-manno-heptose1,7-bisphosphate298.15C109A0.343.1.3.82_P63228_Escherichia coli_D-glycero-beta-D-manno-heptose1,7-bisphosphate_298.15_C109A6.8e-053.1.3.82_P63228_Escherichia coli_D-glycero-beta-D-manno-heptose1,7-bisphosphate_298.1535.75e-062GMW31,33C12912.40691636718168.103068483221624.30384788396ICACysAla2GMW_C109A_4.30384788396_D-glycero-beta-D-manno-heptose1,7-bisphosphateD-glycero-beta-D-manno-heptose 1,7-bisphosphate + H2O = D-glycero-beta-D-manno-heptose 1-phosphate + phosphate
3.1.3.82P63228Escherichia coliD-glycero-beta-D-manno-heptose1,7-bisphosphate298.15R110A6.23.1.3.82_P63228_Escherichia coli_D-glycero-beta-D-manno-heptose1,7-bisphosphate_298.15_R110A0.0001813.1.3.82_P63228_Escherichia coli_D-glycero-beta-D-manno-heptose1,7-bisphosphate_298.1535.75e-062GMW31,33R13011.26675119913778.103068483221623.16368271591608IRAArgAla2GMW_R110A_3.16368271591608_D-glycero-beta-D-manno-heptose1,7-bisphosphateD-glycero-beta-D-manno-heptose 1,7-bisphosphate + H2O = D-glycero-beta-D-manno-heptose 1-phosphate + phosphate
3.1.4.35O76074Homo sapienscGMP303.15F786A3.73.1.4.35_O76074_Homo sapiens_cGMP_303.15_F786A2.97e-053.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613F78610.68790505934599.599590025143321.08831503420261IFAPheAla1TBF_F786A_1.08831503420261_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.35O76074Homo sapienscGMP303.15F820A0.043.1.4.35_O76074_Homo sapiens_cGMP_303.15_F820A0.0001723.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613F82014.47326803066519.599590025143324.87367800552181IFAPheAla1TBF_F820A_4.87367800552181_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.35O76074Homo sapienscGMP303.15H613A0.000833.1.4.35_O76074_Homo sapiens_cGMP_303.15_H613A7.1e-063.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613H61314.88762066378029.599590025143325.28803063863691IHAHisAla1TBF_H613A_5.28803063863691_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.35O76074Homo sapienscGMP303.15L765A1.33.1.4.35_O76074_Homo sapiens_cGMP_303.15_L765A2.77e-053.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613L76511.27602353949879.599590025143321.6764335143554ILALeuAla1TBF_L765A_1.6764335143554_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.35O76074Homo sapienscGMP303.15Q817A3.83.1.4.35_O76074_Homo sapiens_cGMP_303.15_Q817A0.0001823.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613Q81711.76394905131079.599590025143322.16435902616741IQAGlnAla1TBF_Q817A_2.16435902616741_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.35O76074Homo sapienscGMP303.15V782A2.53.1.4.35_O76074_Homo sapiens_cGMP_303.15_V782A1.59e-053.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613V78210.5476693517749.599590025143320.948079326630658IVAValAla1TBF_V782A_0.948079326630658_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.35O76074Homo sapienscGMP303.15Y612A0.83.1.4.35_O76074_Homo sapiens_cGMP_303.15_Y612A4.16e-053.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613Y61211.81349122904529.599590025143322.21390120390186IYATyrAla1TBF_Y612A_2.21390120390186_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.35O76074Homo sapienscGMP303.15Y612F1.73.1.4.35_O76074_Homo sapiens_cGMP_303.15_Y612F6.1e-063.1.4.35_O76074_Homo sapiens_cGMP_303.152.22.9e-061TBF613Y61210.20286140119489.599590025143320.603271376051488IYFTyrPhe1TBF_Y612F_0.603271376051488_cGMPguanosine 3',5'-cyclic phosphate + H2O = GMP
3.1.4.53O60658Homo sapiens3',5'-cAMP297.15T748A4.33.1.4.53_O60658_Homo sapiens_3',5'-cAMP_297.15_T748A7e-073.1.4.53_O60658_Homo sapiens_3',5'-cAMP_297.1541.8e-063ECM556T7488.162731510824528.76314184856094-0.600410337736426DTAThrAla3ECM_T748A_-0.600410337736426_3',5'-cAMPadenosine 3',5'-cyclic phosphate + H2O = AMP
3.1.8.1P27169Homo sapiensParaoxon298.15H115W63.1.8.1_P27169_Homo sapiens_Paraoxon_298.15_H115W0.0004253.1.8.1_P27169_Homo sapiens_Paraoxon_298.150.90.0005721V04115H11511.791921531577513.0919399644037-1.30001843282621DHWHisTrp1V04_H115W_-1.30001843282621_Paraoxonan aryl dialkyl phosphate + H2O = dialkyl phosphate + an aryl alcohol
3.11.1.1O31156Bacillus cereusH2O;2-Phosphonoacetaldehyde298.15C22A1.953.11.1.1_O31156_Bacillus cereus_H2O;2-Phosphonoacetaldehyde_298.15_C22A0.000533.11.1.1_O31156_Bacillus cereus_H2O;2-Phosphonoacetaldehyde_298.15153.3e-051SWW12,53C2212.58865025132359.734880174773672.85377007654981ICACysAla1SWW_C22A_2.85377007654981_H2O;2-PhosphonoacetaldehydeH2O + 2-Phosphonoacetaldehyde = Acetaldehyde + Phosphate
3.11.1.1O31156Bacillus cereusH2O;2-Phosphonoacetaldehyde298.15C22S2.263.11.1.1_O31156_Bacillus cereus_H2O;2-Phosphonoacetaldehyde_298.15_C22S3.3e-053.11.1.1_O31156_Bacillus cereus_H2O;2-Phosphonoacetaldehyde_298.15153.3e-051SWW12,53C2210.85627282336089.734880174773671.12139264858709ICSCysSer1SWW_C22S_1.12139264858709_H2O;2-PhosphonoacetaldehydeH2O + 2-Phosphonoacetaldehyde = Acetaldehyde + Phosphate
3.11.1.1O31156Bacillus cereusH2O;2-Phosphonoacetaldehyde298.15Y128A0.07733.11.1.1_O31156_Bacillus cereus_H2O;2-Phosphonoacetaldehyde_298.15_Y128A3.5e-053.11.1.1_O31156_Bacillus cereus_H2O;2-Phosphonoacetaldehyde_298.15153.3e-051SWW12,53Y12812.89103326715469.734880174773673.15615309238092IYATyrAla1SWW_Y128A_3.15615309238092_H2O;2-PhosphonoacetaldehydeH2O + 2-Phosphonoacetaldehyde = Acetaldehyde + Phosphate
3.2.1.1P06278Bacillus licheniformis4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside298.15L134R8.143.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_298.15_L134R1.17e-053.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_298.158.731.2e-051BLI231,261L1349.482682668277659.45622372267730.0264589456003463NLRLeuArg1BLI_L134R_0.0264589456003463_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaosideEndohydrolysis of (1->4)-alpha-D-glucosidic linkages in polysaccharides containing three or more (1->4)-alpha-linked D-glucose units
3.2.1.1P06278Bacillus licheniformis4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside298.15S329A8.323.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_298.15_S329A1.13e-053.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_298.158.731.2e-051BLI231,261S3209.449113391962099.4562237226773-0.00711033071521428NSASerAla1BLI_S329A_-0.00711033071521427_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaosideEndohydrolysis of (1->4)-alpha-D-glucosidic linkages in polysaccharides containing three or more (1->4)-alpha-linked D-glucose units
3.2.1.1P06278Bacillus licheniformis4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside310.15L134R2073.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_310.15_L134R0.0001823.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_310.15119.50.0002141BLI231,261L1349.585728805396910.0241715237079-0.438442718310951NLRLeuArg1BLI_L134R_-0.43844271831095_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaosideEndohydrolysis of (1->4)-alpha-D-glucosidic linkages in polysaccharides containing three or more (1->4)-alpha-linked D-glucose units
3.2.1.1P06278Bacillus licheniformis4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside310.15S329A2033.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_310.15_S329A0.0001973.2.1.1_P06278_Bacillus licheniformis_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaoside_310.15119.50.0002141BLI231,261S3209.646567062676610.0241715237079-0.377604461031256NSASerAla1BLI_S329A_-0.377604461031256_4,6-ethylidene-[G7]-p-nitrophenyl-[G1]-alpha-D-maltoheptaosideEndohydrolysis of (1->4)-alpha-D-glucosidic linkages in polysaccharides containing three or more (1->4)-alpha-linked D-glucose units
3.2.1.179Q9RC92Bacillus sp. (in: Bacteria)beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp303.15E149N0.00593.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp_303.15_E149N6e-053.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp_303.157.39e-052AHF88,149E14914.99182059185210.9464177689574.04540282289506IENGluAsn2AHF_E149N_4.04540282289506_beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcpbeta-D-4-deoxy-Delta4-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1 >3)-D-Glcp + H2O = 5-dehydro-4-deoxy-D-glucuronate + beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp
3.2.1.179Q9RC92Bacillus sp. (in: Bacteria)beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp303.15E88N0.000573.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp_303.15_E88N2e-043.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp_303.157.39e-052AHF88,149E8817.125029391792310.9464177689576.17861162283533IENGluAsn2AHF_E88N_6.17861162283533_beta-D-4-deoxy-DELTA-45-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcpbeta-D-4-deoxy-Delta4-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1 >3)-D-Glcp + H2O = 5-dehydro-4-deoxy-D-glucuronate + beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp
3.2.1.179Q9RC92Bacillus sp. (in: Bacteria)beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc303.15G342S18.23.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.15_G342S0.0005043.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.1514.10.0003812AHF88,149G34211.433910668393211.41913315755430.0147775108388633NGSGlySer2AHF_G342S_0.0147775108388633_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAcbeta-D-4-deoxy-Delta4-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1 >3)-D-Glcp + H2O = 5-dehydro-4-deoxy-D-glucuronate + beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp
3.2.1.179Q9RC92Bacillus sp. (in: Bacteria)beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc303.15H339S16.93.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.15_H339S0.0008613.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.1514.10.0003812AHF88,149H33911.801163932039411.41913315755430.382030774485063NHSHisSer2AHF_H339S_0.382030774485063_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAcbeta-D-4-deoxy-Delta4-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1 >3)-D-Glcp + H2O = 5-dehydro-4-deoxy-D-glucuronate + beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp
3.2.1.179Q9RC92Bacillus sp. (in: Bacteria)beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S303.15G342S20.93.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.15_G342S0.0073.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.1554.90.01862AHF88,149G34212.935609280599712.9425294672643-0.00692018666463312NGSGlySer2AHF_G342S_-0.00692018666463312_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6Sbeta-D-4-deoxy-Delta4-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1 >3)-D-Glcp + H2O = 5-dehydro-4-deoxy-D-glucuronate + beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp
3.2.1.179Q9RC92Bacillus sp. (in: Bacteria)beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S303.15H339S24.53.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.15_H339S0.007193.2.1.179_Q9RC92_Bacillus sp. (in: Bacteria)_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.1554.90.01862AHF88,149H33912.856003246934412.9425294672643-0.0865262203299277NHSHisSer2AHF_H339S_-0.0865262203299277_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6Sbeta-D-4-deoxy-Delta4-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1 >3)-D-Glcp + H2O = 5-dehydro-4-deoxy-D-glucuronate + beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp
3.2.1.18P03474Influenza B virusH2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid310.15D149E0.033.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.15_D149E7e-063.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.150.54.8e-051B9V149,409D14913.025600852645812.47822223737220.547378615273601IDEAspGlu1B9V_D149E_0.547378615273601_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid + H2O = 4-Methylumbelliferone + N-Acetylneuraminate
3.2.1.18P03474Influenza B virusH2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid310.15E117G0.13.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.15_E117G1.6e-053.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.150.54.8e-051B9V149,409E11712.793061525153312.47822223737220.31483928778108NEGGluGly1B9V_E117G_0.31483928778108_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid + H2O = 4-Methylumbelliferone + N-Acetylneuraminate
3.2.1.18P03474Influenza B virusH2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid310.15R223K0.173.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.15_R223K2.6e-053.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.150.54.8e-051B9V149,409R22312.765252259041412.47822223737220.287030021669199NRKArgLys1B9V_R223K_0.287030021669199_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid + H2O = 4-Methylumbelliferone + N-Acetylneuraminate
3.2.1.18P03474Influenza B virusH2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid310.15R374K0.113.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.15_R374K6.5e-053.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.150.54.8e-051B9V149,409R37413.598294951378312.47822223737221.12007271400614IRKArgLys1B9V_R374K_1.12007271400614_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid + H2O = 4-Methylumbelliferone + N-Acetylneuraminate
3.2.1.18P03474Influenza B virusH2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid310.15R374N0.023.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.15_R374N3.3e-053.2.1.18_P03474_Influenza B virus_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid_310.150.54.8e-051B9V149,409R37414.231189026307412.47822223737221.75296678893517IRNArgAsn1B9V_R374N_1.75296678893517_H2O;2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid + H2O = 4-Methylumbelliferone + N-Acetylneuraminate
3.2.1.180Q8E372Streptococcus agalactiaebeta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc303.15K370I3.973.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.15_K370I0.0003713.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.152.690.001273WUX115,175K37012.166627320775213.1424301955018-0.975802874726655DKILysIle3WUX_K370I_-0.975802874726655_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAcbeta-D-4-deoxy-DELTA4-GlcAp-(1->3)-beta-D-GalNAc6S + H2O = 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-beta-D-galactosamine-6-O-sulfate
3.2.1.180Q8E372Streptococcus agalactiaebeta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc303.15S365H1.693.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.15_S365H0.0007633.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.152.690.001273WUX115,175S36513.115500963339313.1424301955018-0.0269292321625034NSHSerHis3WUX_S365H_-0.0269292321625034_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAcbeta-D-4-deoxy-DELTA4-GlcAp-(1->3)-beta-D-GalNAc6S + H2O = 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-beta-D-galactosamine-6-O-sulfate
3.2.1.180Q8E372Streptococcus agalactiaebeta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc303.15S368G10.83.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.15_S368G0.00143.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc_303.152.690.001273WUX115,175S36812.363767706912213.1424301955018-0.778662488589616DSGSerGly3WUX_S368G_-0.778662488589616_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAcbeta-D-4-deoxy-DELTA4-GlcAp-(1->3)-beta-D-GalNAc6S + H2O = 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-beta-D-galactosamine-6-O-sulfate
3.2.1.180Q8E372Streptococcus agalactiaebeta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S303.15K370I41.63.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.15_K370I0.001473.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.1517.10.000323WUX115,175K37011.580759174496311.19781351395010.382945660546215NKILysIle3WUX_K370I_0.382945660546214_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6Sbeta-D-4-deoxy-DELTA4-GlcAp-(1->3)-beta-D-GalNAc6S + H2O = 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-beta-D-galactosamine-6-O-sulfate
3.2.1.180Q8E372Streptococcus agalactiaebeta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S303.15S365H3.853.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.15_S365H0.002363.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.1517.10.000323WUX115,175S36513.299730707481711.19781351395012.10191719353166ISHSerHis3WUX_S365H_2.10191719353165_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6Sbeta-D-4-deoxy-DELTA4-GlcAp-(1->3)-beta-D-GalNAc6S + H2O = 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-beta-D-galactosamine-6-O-sulfate
3.2.1.180Q8E372Streptococcus agalactiaebeta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S303.15S368G24.83.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.15_S368G0.0001913.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.1517.10.000323WUX115,175S36810.662974085930311.1978135139501-0.534839428019708DSGSerGly3WUX_S368G_-0.534839428019708_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6Sbeta-D-4-deoxy-DELTA4-GlcAp-(1->3)-beta-D-GalNAc6S + H2O = 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-beta-D-galactosamine-6-O-sulfate
3.2.1.180Q8E372Streptococcus agalactiaebeta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S303.15T235A3.963.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.15_T235A0.001753.2.1.180_Q8E372_Streptococcus agalactiae_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6S_303.1517.10.000323WUX115,175T23513.102607614215211.19781351395011.90479410026517ITAThrAla3WUX_T235A_1.90479410026517_beta-D-4-deoxy-DELTA4,5-GlcAp-(1->3)-beta-D-GalNAc6Sbeta-D-4-deoxy-DELTA4-GlcAp-(1->3)-beta-D-GalNAc6S + H2O = 5-dehydro-4-deoxy-D-glucuronate + N-acetyl-beta-D-galactosamine-6-O-sulfate
3.2.1.21B8CYA8Halothermothrix oreniicellobiose343.15F417S0.383.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.15_F417S0.01193.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.153870.014PTX166,354F41717.821442964463212.97989218786684.8415507765964IFSPheSer4PTX_F417S_4.8415507765964_cellobioseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniicellobiose343.15F417Y38.73.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.15_F417Y0.00353.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.153870.014PTX166,354F41713.834166548834412.97989218786680.854274360967619IFYPheTyr4PTX_F417Y_0.854274360967619_cellobioseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniicellobiose343.15N222F16.93.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.15_N222F0.09323.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.153870.014PTX166,354N22216.637173994410312.97989218786683.65728180654354INFAsnPhe4PTX_N222F_3.65728180654354_cellobioseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniicellobiose343.15N294T16.53.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.15_N294T0.0093.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.153870.014PTX166,354N29415.059522435075512.97989218786682.07963024720877INTAsnThr4PTX_N294T_2.07963024720877_cellobioseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniicellobiose343.15Y296F8.53.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.15_Y296F0.02023.2.1.21_B8CYA8_Halothermothrix orenii_cellobiose_343.153870.014PTX166,354Y29616.063128256587712.97989218786683.08323606872095IYFTyrPhe4PTX_Y296F_3.08323606872095_cellobioseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniilactose343.15F417S7.83.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.15_F417S0.02323.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.153660.02634PTX166,354F41716.216157609797713.6773350859542.53882252384368IFSPheSer4PTX_F417S_2.53882252384368_lactoseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniilactose343.15F417Y41.53.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.15_F417Y0.01033.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.153660.02634PTX166,354F41714.522575401527613.6773350859540.845240315573594IFYPheTyr4PTX_F417Y_0.845240315573594_lactoseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniilactose343.15N222F1.473.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.15_N222F0.04133.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.153660.02634PTX166,354N22217.747440264787813.6773350859544.07010517883384INFAsnPhe4PTX_N222F_4.07010517883384_lactoseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniilactose343.15N294T7.43.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.15_N294T0.03083.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.153660.02634PTX166,354N29416.445284301632113.6773350859542.76794921567806INTAsnThr4PTX_N294T_2.76794921567806_lactoseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B8CYA8Halothermothrix oreniilactose343.15Y296F6.93.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.15_Y296F0.02913.2.1.21_B8CYA8_Halothermothrix orenii_lactose_343.153660.02634PTX166,354Y29616.454273317994113.6773350859542.77693823204011IYFTyrPhe4PTX_Y296F_2.77693823204011_lactoseHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21B9K7M5Thermotoga neapolitanaquercetin3-O-beta-D-glucopyranoside353.15F224I14.43.2.1.21_B9K7M5_Thermotoga neapolitana_quercetin3-O-beta-D-glucopyranoside_353.15_F224I0.000153.2.1.21_B9K7M5_Thermotoga neapolitana_quercetin3-O-beta-D-glucopyranoside_353.1513.60.000135IDI164,349F224I12.740731094725212.68041804342260.0603130513025718NFIPheIle5IDI_F224I_0.0603130513025718_quercetin3-O-beta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays2-nitrophenylbeta-D-glucopyranoside310.15D261N36.43.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15_D261N0.00173.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15121.50.001651V08191,406D26112.034132858767611.27283784422890.761295014538717IDNAspAsn1V08_D261N_0.761295014538717_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays2-nitrophenylbeta-D-glucopyranoside310.15F198V6.63.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15_F198V0.001223.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15121.50.001651V08191,406F19812.882037173946311.27283784422891.60919932971739IFVPheVal1V08_F198V_1.60919932971739_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays2-nitrophenylbeta-D-glucopyranoside310.15F205L137.33.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15_F205L0.001863.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15121.50.001651V08191,406F20511.271326068844111.2728378442289-0.00151177538478464NFLPheLeu1V08_F205L_-0.00151177538478464_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays2-nitrophenylbeta-D-glucopyranoside310.15F466S172.43.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15_F466S0.001873.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15121.50.001651V08191,406F46611.134322931727411.2728378442289-0.138514912501508NFSPheSer1V08_F466S_-0.138514912501508_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays2-nitrophenylbeta-D-glucopyranoside310.15M263F143.83.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15_M263F0.001213.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15121.50.001651V08191,406M26310.977820795900711.2728378442289-0.295017048328177NMFMetPhe1V08_M263F_-0.295017048328177_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays2-nitrophenylbeta-D-glucopyranoside310.15P377A74.43.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15_P377A0.001243.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15121.50.001651V08191,406P37711.399059638945611.27283784422890.126221794716688NPAProAla1V08_P377A_0.126221794716688_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays2-nitrophenylbeta-D-glucopyranoside310.15Y473F353.23.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15_Y473F0.001853.2.1.21_P49235_Zea mays_2-nitrophenylbeta-D-glucopyranoside_310.15121.50.001651V08191,406Y47310.685650204879611.2728378442289-0.587187639349256DYFTyrPhe1V08_Y473F_-0.587187639349256_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-methylumbelliferylbeta-D-glucopyranoside310.15D261N17.23.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.15_D261N0.000423.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.1530.30.000371V08191,406D26111.634458990929111.20734555202030.427113438908824NDNAspAsn1V08_D261N_0.427113438908824_4-methylumbelliferylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-methylumbelliferylbeta-D-glucopyranoside310.15F198V3.43.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.15_F198V0.000233.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.1530.30.000371V08191,406F19812.262477964891111.20734555202031.05513241287086IFVPheVal1V08_F198V_1.05513241287086_4-methylumbelliferylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-methylumbelliferylbeta-D-glucopyranoside310.15F205L34.33.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.15_F205L0.0003953.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.1530.30.000371V08191,406F20511.171219197022311.2073455520203-0.0361263549979327NFLPheLeu1V08_F205L_-0.0361263549979327_4-methylumbelliferylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-methylumbelliferylbeta-D-glucopyranoside310.15F466S97.93.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.15_F466S0.000493.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.1530.30.000371V08191,406F46610.657639291179711.2073455520203-0.549706260840594DFSPheSer1V08_F466S_-0.549706260840594_4-methylumbelliferylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-methylumbelliferylbeta-D-glucopyranoside310.15M263F17.83.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.15_M263F0.000433.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.1530.30.000371V08191,406M26311.627828112857711.20734555202030.420482560837451NMFMetPhe1V08_M263F_0.420482560837451_4-methylumbelliferylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-methylumbelliferylbeta-D-glucopyranoside310.15P377A16.83.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.15_P377A0.000163.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.1530.30.000371V08191,406P37711.054149305736911.2073455520203-0.153196246283336NPAProAla1V08_P377A_-0.153196246283336_4-methylumbelliferylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-methylumbelliferylbeta-D-glucopyranoside310.15Y473F63.43.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.15_Y473F0.000553.2.1.21_P49235_Zea mays_4-methylumbelliferylbeta-D-glucopyranoside_310.1530.30.000371V08191,406Y47310.996620358548411.2073455520203-0.210725193471896NYFTyrPhe1V08_Y473F_-0.210725193471896_4-methylumbelliferylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-nitrophenylbeta-D-glucopyranoside310.15D261N4.973.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.15_D261N9e-043.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.1529.50.000641V08191,406D26112.869364378514811.56156674198781.30779763652709IDNAspAsn1V08_D261N_1.30779763652709_4-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-nitrophenylbeta-D-glucopyranoside310.15F205L57.33.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.15_F205L0.0006253.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.1529.50.000641V08191,406F20511.13775879405511.5615667419878-0.423807947932801NFLPheLeu1V08_F205L_-0.423807947932801_4-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-nitrophenylbeta-D-glucopyranoside310.15F466S100.73.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.15_F466S0.001063.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.1529.50.000641V08191,406F46611.115834161282111.5615667419878-0.4457325807057NFSPheSer1V08_F466S_-0.4457325807057_4-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-nitrophenylbeta-D-glucopyranoside310.15M263F11.13.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.15_M263F0.000413.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.1529.50.000641V08191,406M26311.889539195471911.56156674198780.327972453484099NMFMetPhe1V08_M263F_0.327972453484099_4-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-nitrophenylbeta-D-glucopyranoside310.15P377A10.853.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.15_P377A0.000453.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.1529.50.000641V08191,406P37711.960954114175511.56156674198780.399387372187702NPAProAla1V08_P377A_0.399387372187702_4-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21P49235Zea mays4-nitrophenylbeta-D-glucopyranoside310.15Y473F163.83.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.15_Y473F0.001043.2.1.21_P49235_Zea mays_4-nitrophenylbeta-D-glucopyranoside_310.1529.50.000641V08191,406Y47310.80424730411911.5615667419878-0.757319437868755DYFTyrPhe1V08_Y473F_-0.757319437868755_4-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.21Q9YGA8Thermosphaera aggregans2-nitrophenylbeta-D-glucopyranoside338.15E387G72.93.2.1.21_Q9YGA8_Thermosphaera aggregans_2-nitrophenylbeta-D-glucopyranoside_338.15_E387G0.001013.2.1.21_Q9YGA8_Thermosphaera aggregans_2-nitrophenylbeta-D-glucopyranoside_338.15374.40.000291QVB386E38712.362058456883610.424038414441.93802004244357IEGGluGly1QVB_E387G_1.93802004244357_2-nitrophenylbeta-D-glucopyranosideHydrolysis of terminal, non-reducing beta-D-glucosyl residues with release of beta-D-glucose
3.2.1.22P04824Saccharomyces cerevisiae4-nitrophenyl-alpha-D-galactopyranoside303.15A41Y903.2.1.22_P04824_Saccharomyces cerevisiae_4-nitrophenyl-alpha-D-galactopyranoside_303.15_A41Y0.00373.2.1.22_P04824_Saccharomyces cerevisiae_4-nitrophenyl-alpha-D-galactopyranoside_303.152860.00453LRK149,209A4111.671942574321911.09335224347680.578590330845023IAYAlaTyr3LRK_A41Y_0.578590330845023_4-nitrophenyl-alpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22P04824Saccharomyces cerevisiae4-nitrophenyl-alpha-D-galactopyranoside303.15Q251A1703.2.1.22_P04824_Saccharomyces cerevisiae_4-nitrophenyl-alpha-D-galactopyranoside_303.15_Q251A0.00143.2.1.22_P04824_Saccharomyces cerevisiae_4-nitrophenyl-alpha-D-galactopyranoside_303.152860.00453LRK149,209Q25110.703336052975211.0933522434768-0.390016190501671NQAGlnAla3LRK_Q251A_-0.390016190501671_4-nitrophenyl-alpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22P04824Saccharomyces cerevisiae4-nitrophenyl-alpha-D-galactopyranoside303.15Q251W163.2.1.22_P04824_Saccharomyces cerevisiae_4-nitrophenyl-alpha-D-galactopyranoside_303.15_Q251W0.000243.2.1.22_P04824_Saccharomyces cerevisiae_4-nitrophenyl-alpha-D-galactopyranoside_303.152860.00453LRK149,209Q25111.064562015923111.0933522434768-0.0287902275537189NQWGlnTrp3LRK_Q251W_-0.0287902275537189_4-nitrophenyl-alpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22P04824Saccharomyces cerevisiaemelibiose303.15A41Y1313.2.1.22_P04824_Saccharomyces cerevisiae_melibiose_303.15_A41Y0.00583.2.1.22_P04824_Saccharomyces cerevisiae_melibiose_303.151930.01123LRK149,209A4111.716604726745911.8795982817556-0.162993555009702NAYAlaTyr3LRK_A41Y_-0.162993555009702_melibioseHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22P04824Saccharomyces cerevisiaemelibiose303.15Q251A1133.2.1.22_P04824_Saccharomyces cerevisiae_melibiose_303.15_Q251A0.2543.2.1.22_P04824_Saccharomyces cerevisiae_melibiose_303.151930.01123LRK149,209Q25114.082494721307411.87959828175562.20289643955187IQAGlnAla3LRK_Q251A_2.20289643955187_melibioseHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22P04824Saccharomyces cerevisiaeraffinose303.15A41Y913.2.1.22_P04824_Saccharomyces cerevisiae_raffinose_303.15_A41Y0.08793.2.1.22_P04824_Saccharomyces cerevisiae_raffinose_303.1546.80.05413LRK149,209A4113.573683976622313.6818857062084-0.108201729586151NAYAlaTyr3LRK_A41Y_-0.108201729586151_raffinoseHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilus4-nitrophenylalpha-D-galactopyranoside298.15W336A7.93.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.15_W336A0.000443.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.151243.80.000524FNS478,548W33611.64947700314278.751021883498392.89845511964435IWATrpAla4FNS_W336A_2.89845511964435_4-nitrophenylalpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilus4-nitrophenylalpha-D-galactopyranoside298.15W336D0.973.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.15_W336D0.001333.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.151243.80.000524FNS478,548W33613.54750008910578.751021883498394.7964782056073IWDTrpAsp4FNS_W336D_4.7964782056073_4-nitrophenylalpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilus4-nitrophenylalpha-D-galactopyranoside298.15W336F3753.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.15_W336F0.000243.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.151243.80.000524FNS478,548W3369.003309374578568.751021883498390.252287491080169NWFTrpPhe4FNS_W336F_0.252287491080169_4-nitrophenylalpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilus4-nitrophenylalpha-D-galactopyranoside298.15W336N38.23.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.15_W336N0.000843.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.151243.80.000524FNS478,548W33611.09885125166168.751021883498392.34782936816316IWNTrpAsn4FNS_W336N_2.34782936816316_4-nitrophenylalpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilus4-nitrophenylalpha-D-galactopyranoside298.15W336S483.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.15_W336S0.00873.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_4-nitrophenylalpha-D-galactopyranoside_298.151243.80.000524FNS478,548W33612.3485918433658.751021883498393.59756995986661IWSTrpSer4FNS_W336S_3.59756995986661_4-nitrophenylalpha-D-galactopyranosideHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilusraffinose298.15W336A48.13.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15_W336A0.2523.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15692.50.10194FNS478,548W33614.341734925634812.22509472497352.11664020066128IWATrpAla4FNS_W336A_2.11664020066128_raffinoseHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilusraffinose298.15W336F8323.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15_W336F0.253.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15692.50.10194FNS478,548W33612.648098160829112.22509472497350.423003435855597NWFTrpPhe4FNS_W336F_0.423003435855597_raffinoseHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilusraffinose298.15W336N10.33.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15_W336N0.2053.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15692.50.10194FNS478,548W33615.132539503473312.22509472497352.90744477849984IWNTrpAsn4FNS_W336N_2.90744477849984_raffinoseHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.22Q9ALJ4Geobacillus stearothermophilusraffinose298.15W336S5.23.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15_W336S0.03663.2.1.22_Q9ALJ4_Geobacillus stearothermophilus_raffinose_298.15692.50.10194FNS478,548W33614.516662570988212.22509472497352.2915678460147IWSTrpSer4FNS_W336S_2.2915678460147_raffinoseHydrolysis of terminal, non-reducing alpha-D-galactose residues in alpha-D-galactosides, including galactose oligosaccharides, galactomannans and galactolipids
3.2.1.23P22498Sulfolobus solfataricuslactose303.15F359Q167.53.2.1.23_P22498_Sulfolobus solfataricus_lactose_303.15_F359Q0.03183.2.1.23_P22498_Sulfolobus solfataricus_lactose_303.15122.60.01424EAM206,387F35912.593626580009212.29592807671810.297698503291128NFQPheGln4EAM_F359Q_0.297698503291128_lactosehydrolysis of terminal non-reducing beta-D-galactose residues in beta-D-galactosides
3.2.1.23P22498Sulfolobus solfataricuslactose303.15F441Y162.23.2.1.23_P22498_Sulfolobus solfataricus_lactose_303.15_F441Y0.02943.2.1.23_P22498_Sulfolobus solfataricus_lactose_303.15122.60.01424EAM206,387F44112.565723275524112.29592807671810.269795198806078NFYPheTyr4EAM_F441Y_0.269795198806078_lactosehydrolysis of terminal non-reducing beta-D-galactose residues in beta-D-galactosides
3.2.1.37P36906Thermoanaerobacter saccharolyticumH2O;3-Nitrophenyl-beta-D-xylopyranoside310.15E160A0.00523.2.1.37_P36906_Thermoanaerobacter saccharolyticum_H2O;3-Nitrophenyl-beta-D-xylopyranoside_310.15_E160A0.00493.2.1.37_P36906_Thermoanaerobacter saccharolyticum_H2O;3-Nitrophenyl-beta-D-xylopyranoside_310.15110.000151UHV160,277E16018.143405048487511.27537943204436.86802561644316IEAGluAla1UHV_E160A_6.86802561644316_H2O;3-Nitrophenyl-beta-D-xylopyranosideH2O + 3-Nitrophenyl-beta-D-xylopyranoside = D-Xylose + 3-Nitrophenol
3.2.1.4P07981Trichoderma reesei4-methylumbelliferylcellobioside318.15Q126F0.0033.2.1.4_P07981_Trichoderma reesei_4-methylumbelliferylcellobioside_318.15_Q126F0.0001143.2.1.4_P07981_Trichoderma reesei_4-methylumbelliferylcellobioside_318.150.010.0001251EG1196,201Q12616.597560722546815.89460895818380.70295176436305IQFGlnPhe1EG1_Q126F_0.70295176436305_4-methylumbelliferylcellobiosideendohydrolysis of (1->4)-beta-D-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans
3.2.1.4P26221Thermobifida fusca2,4-dinitrophenylbeta-D-cellobioside323.15E424A0.073.2.1.4_P26221_Thermobifida fusca_2,4-dinitrophenylbeta-D-cellobioside_323.15_E424A0.000293.2.1.4_P26221_Thermobifida fusca_2,4-dinitrophenylbeta-D-cellobioside_323.150.020.0006971TF4104,422,427,461,470E42415.445246451890916.8128506223187-1.36760417042779DEAGluAla1TF4_E424A_-1.36760417042779_2,4-dinitrophenylbeta-D-cellobiosideendohydrolysis of (1->4)-beta-D-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans
3.2.1.4P26221Thermobifida fusca2,4-dinitrophenylbeta-D-cellobioside323.15E424G0.73.2.1.4_P26221_Thermobifida fusca_2,4-dinitrophenylbeta-D-cellobioside_323.15_E424G0.0001973.2.1.4_P26221_Thermobifida fusca_2,4-dinitrophenylbeta-D-cellobioside_323.150.020.0006971TF4104,422,427,461,470E42413.718288419752316.8128506223187-3.09456220256639DEGGluGly1TF4_E424G_-3.09456220256639_2,4-dinitrophenylbeta-D-cellobiosideendohydrolysis of (1->4)-beta-D-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans
3.2.1.52Q06GJ0Ostrinia furnacalis4-methylumbelliferylN-acetyl-beta-D-glucosaminide298.15E328A3563.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15_E328A9.6e-053.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15434.70.0001073NSM227,281,346E3288.491225033872238.43716364131490.0540613925573314NEAGluAla3NSM_E328A_0.0540613925573314_4-methylumbelliferylN-acetyl-beta-D-glucosaminidehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalis4-methylumbelliferylN-acetyl-beta-D-glucosaminide298.15E328Q3493.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15_E328Q0.0001053.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15434.70.0001073NSM227,281,346E3288.556085226061668.43716364131490.118921584746758NEQGluGln3NSM_E328Q_0.118921584746758_4-methylumbelliferylN-acetyl-beta-D-glucosaminidehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalis4-methylumbelliferylN-acetyl-beta-D-glucosaminide298.15H433A0.313.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15_H433A9.5e-053.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15434.70.0001073NSM227,281,346H43312.65975601648158.43716364131494.2225923751666IHAHisAla3NSM_H433A_4.2225923751666_4-methylumbelliferylN-acetyl-beta-D-glucosaminidehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalis4-methylumbelliferylN-acetyl-beta-D-glucosaminide298.15V327G1893.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15_V327G7e-053.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15434.70.0001073NSM227,281,346V3278.679239582340038.43716364131490.242075941025131NVGValGly3NSM_V327G_0.242075941025131_4-methylumbelliferylN-acetyl-beta-D-glucosaminidehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalis4-methylumbelliferylN-acetyl-beta-D-glucosaminide298.15W448A0.473.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15_W448A0.0002233.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15434.70.0001073NSM227,281,346W44812.91875278288848.43716364131494.48158914157349IWATrpAla3NSM_W448A_4.48158914157349_4-methylumbelliferylN-acetyl-beta-D-glucosaminidehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalis4-methylumbelliferylN-acetyl-beta-D-glucosaminide298.15W448F0.573.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15_W448F0.0001493.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15434.70.0001073NSM227,281,346W44812.56555365632928.43716364131494.12839001501425IWFTrpPhe3NSM_W448F_4.12839001501425_4-methylumbelliferylN-acetyl-beta-D-glucosaminidehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalis4-methylumbelliferylN-acetyl-beta-D-glucosaminide298.15W490A1683.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15_W490A1e-043.2.1.52_Q06GJ0_Ostrinia furnacalis_4-methylumbelliferylN-acetyl-beta-D-glucosaminide_298.15434.70.0001073NSM227,281,346W4908.960350058389538.43716364131490.52318641707463IWATrpAla3NSM_W490A_0.52318641707463_4-methylumbelliferylN-acetyl-beta-D-glucosaminidehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalischitobiose298.15V327G3373.2.1.52_Q06GJ0_Ostrinia furnacalis_chitobiose_298.15_V327G0.0001263.2.1.52_Q06GJ0_Ostrinia furnacalis_chitobiose_298.155070.0001483NSM227,281,346V3278.684839034422158.538199708988120.146639325434036NVGValGly3NSM_V327G_0.146639325434036_chitobiosehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.52Q06GJ0Ostrinia furnacalischitobiose298.15W490A4503.2.1.52_Q06GJ0_Ostrinia furnacalis_chitobiose_298.15_W490A0.0018753.2.1.52_Q06GJ0_Ostrinia furnacalis_chitobiose_298.155070.0001483NSM227,281,346W49010.11327771874278.538199708988121.57507800975457IWATrpAla3NSM_W490A_1.57507800975457_chitobiosehydrolysis of terminal non-reducing N-acetyl-D-hexosamine residues in N-acetyl-beta-D-hexosaminides
3.2.1.70Q99040Streptococcus mutansH2O;Isomaltose310.15W238A34.53.2.1.70_Q99040_Streptococcus mutans_H2O;Isomaltose_310.15_W238A0.01583.2.1.70_Q99040_Streptococcus mutans_H2O;Isomaltose_310.154830.009354XB3194,236W23813.44121831210811.49132748504361.94989082706437IWATrpAla4XB3_W238A_1.94989082706437_H2O;IsomaltoseH2O + Isomaltose = alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansH2O;Isomaltotriose310.15W238P77.53.2.1.70_Q99040_Streptococcus mutans_H2O;Isomaltotriose_310.15_W238P0.01023.2.1.70_Q99040_Streptococcus mutans_H2O;Isomaltotriose_310.155410.003174XB3194,236W23812.672686067037610.75477894740261.91790711963498IWPTrpPro4XB3_W238P_1.91790711963498_H2O;IsomaltotrioseIsomaltotriose + H2O = Isomaltose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansIsomaltoheptaose;H2O310.15W238A33.23.2.1.70_Q99040_Streptococcus mutans_Isomaltoheptaose;H2O_310.15_W238A0.08173.2.1.70_Q99040_Streptococcus mutans_Isomaltoheptaose;H2O_310.154490.0124XB3194,236W23814.477555568657811.6901100921052.78744547655283IWATrpAla4XB3_W238A_2.78744547655283_Isomaltoheptaose;H2OIsomaltoheptaose + H2O = Isomaltohexaose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansIsomaltoheptaose;H2O310.15W238N9.813.2.1.70_Q99040_Streptococcus mutans_Isomaltoheptaose;H2O_310.15_W238N0.02693.2.1.70_Q99040_Streptococcus mutans_Isomaltoheptaose;H2O_310.154490.0124XB3194,236W23814.544255183142811.6901100921052.85414509103777IWNTrpAsn4XB3_W238N_2.85414509103777_Isomaltoheptaose;H2OIsomaltoheptaose + H2O = Isomaltohexaose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansIsomaltohexaose;H2O310.15W238A363.2.1.70_Q99040_Streptococcus mutans_Isomaltohexaose;H2O_310.15_W238A0.07693.2.1.70_Q99040_Streptococcus mutans_Isomaltohexaose;H2O_310.154010.007884XB3194,236W23814.39033368985911.50057668062912.88975700922994IWATrpAla4XB3_W238A_2.88975700922994_Isomaltohexaose;H2OIsomaltohexaose + H2O = Isomaltopentaose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansIsomaltopentaose;H2O310.15W238N9.213.2.1.70_Q99040_Streptococcus mutans_Isomaltopentaose;H2O_310.15_W238N0.01513.2.1.70_Q99040_Streptococcus mutans_Isomaltopentaose;H2O_310.154190.00514XB3194,236W23814.227262734575911.20535454960453.02190818497138IWNTrpAsn4XB3_W238N_3.02190818497137_Isomaltopentaose;H2OIsomaltopentaose + H2O = Isomaltotetraose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansIsomaltopentaose;H2O310.15W238P42.43.2.1.70_Q99040_Streptococcus mutans_Isomaltopentaose;H2O_310.15_W238P0.02463.2.1.70_Q99040_Streptococcus mutans_Isomaltopentaose;H2O_310.154190.00514XB3194,236W23813.587010597868911.20535454960452.38165604826439IWPTrpPro4XB3_W238P_2.38165604826439_Isomaltopentaose;H2OIsomaltopentaose + H2O = Isomaltotetraose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansIsomaltotetraose;H2O310.15W238A22.33.2.1.70_Q99040_Streptococcus mutans_Isomaltotetraose;H2O_310.15_W238A0.02093.2.1.70_Q99040_Streptococcus mutans_Isomaltotetraose;H2O_310.154990.005584XB3194,236W23813.882582525068711.15309746167012.7294850633986IWATrpAla4XB3_W238A_2.7294850633986_Isomaltotetraose;H2OIsomaltotetraose + H2O = Isomaltotriose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansIsomaltotetraose;H2O310.15W238N8.963.2.1.70_Q99040_Streptococcus mutans_Isomaltotetraose;H2O_310.15_W238N0.007773.2.1.70_Q99040_Streptococcus mutans_Isomaltotetraose;H2O_310.154990.005584XB3194,236W23813.834716445876411.15309746167012.6816189842063IWNTrpAsn4XB3_W238N_2.6816189842063_Isomaltotetraose;H2OIsomaltotetraose + H2O = Isomaltotriose + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansp-Nitrophenyl-alpha-D-glucoside;H2O310.15W238A2023.2.1.70_Q99040_Streptococcus mutans_p-Nitrophenyl-alpha-D-glucoside;H2O_310.15_W238A0.0193.2.1.70_Q99040_Streptococcus mutans_p-Nitrophenyl-alpha-D-glucoside;H2O_310.152350.0005494XB3194,236W23812.465635688514410.18802598715872.27760970135567IWATrpAla4XB3_W238A_2.27760970135567_p-Nitrophenyl-alpha-D-glucoside;H2Op-Nitrophenyl-alpha-D-glucoside + H2O = p-Nitrophenol + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansp-Nitrophenyl-alpha-D-glucoside;H2O310.15W238N61.43.2.1.70_Q99040_Streptococcus mutans_p-Nitrophenyl-alpha-D-glucoside;H2O_310.15_W238N0.009923.2.1.70_Q99040_Streptococcus mutans_p-Nitrophenyl-alpha-D-glucoside;H2O_310.152350.0005494XB3194,236W23812.799055097557510.18802598715872.61102911039883IWNTrpAsn4XB3_W238N_2.61102911039883_p-Nitrophenyl-alpha-D-glucoside;H2Op-Nitrophenyl-alpha-D-glucoside + H2O = p-Nitrophenol + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansp-Nitrophenyl-alpha-D-glucoside;H2O310.15W238P12023.2.1.70_Q99040_Streptococcus mutans_p-Nitrophenyl-alpha-D-glucoside;H2O_310.15_W238P0.04143.2.1.70_Q99040_Streptococcus mutans_p-Nitrophenyl-alpha-D-glucoside;H2O_310.152350.0005494XB3194,236W23811.846446338738910.18802598715871.65842035158019IWPTrpPro4XB3_W238P_1.65842035158018_p-Nitrophenyl-alpha-D-glucoside;H2Op-Nitrophenyl-alpha-D-glucoside + H2O = p-Nitrophenol + alpha-D-Glucose
3.2.1.70Q99040Streptococcus mutansPanose;H2O310.15W238A42.13.2.1.70_Q99040_Streptococcus mutans_Panose;H2O_310.15_W238A0.004223.2.1.70_Q99040_Streptococcus mutans_Panose;H2O_310.155380.001034XB3194,236W23812.504844468271910.0653401054952.43950436277687IWATrpAla4XB3_W238A_2.43950436277687_Panose;H2OPanose + H2O = Maltose + alpha-D-Glucose
3.2.2.16A5F5R2Vibrio choleraeS-methyl-5'-thioadenosine298.15V153I0.00793.2.2.16_A5F5R2_Vibrio cholerae_S-methyl-5'-thioadenosine_298.15_V153I4.3e-073.2.2.16_A5F5R2_Vibrio cholerae_S-methyl-5'-thioadenosine_298.150.186.1e-084WKB12,198V15311.63585599835368.626608188524233.00924780982941IVIValIle4WKB_V153I_3.00924780982941_S-methyl-5'-thioadenosineS-methyl-5'-thioadenosine + H2O = S-methyl-5-thio-D-ribose + adenine
3.2.2.16Q9ZMY2Helicobacter pyloriS-adenosyl-L-homocysteine298.15F107A0.443.2.2.16_Q9ZMY2_Helicobacter pylori_S-adenosyl-L-homocysteine_298.15_F107A1.9e-053.2.2.16_Q9ZMY2_Helicobacter pylori_S-adenosyl-L-homocysteine_298.151.81e-053NM613,198F10711.498693386955910.28372578330441.21496760365158IFAPheAla3NM6_F107A_1.21496760365158_S-adenosyl-L-homocysteineS-methyl-5'-thioadenosine + H2O = S-methyl-5-thio-D-ribose + adenine
3.2.2.16Q9ZMY2Helicobacter pyloriS-adenosyl-L-homocysteine298.15H109A0.743.2.2.16_Q9ZMY2_Helicobacter pylori_S-adenosyl-L-homocysteine_298.15_H109A1.4e-053.2.2.16_Q9ZMY2_Helicobacter pylori_S-adenosyl-L-homocysteine_298.151.81e-053NM613,198H10911.009738771994310.28372578330440.726012988689904IHAHisAla3NM6_H109A_0.726012988689904_S-adenosyl-L-homocysteineS-methyl-5'-thioadenosine + H2O = S-methyl-5-thio-D-ribose + adenine
3.2.2.16Q9ZMY2Helicobacter pyloriS-methyl-5'-thioadenosine298.15F107A13.2.2.16_Q9ZMY2_Helicobacter pylori_S-methyl-5'-thioadenosine_298.15_F107A3.7e-053.2.2.16_Q9ZMY2_Helicobacter pylori_S-methyl-5'-thioadenosine_298.153.83.9e-053NM613,198F10711.407153091670210.64737225560490.759780836065247IFAPheAla3NM6_F107A_0.759780836065246_S-methyl-5'-thioadenosineS-methyl-5'-thioadenosine + H2O = S-methyl-5-thio-D-ribose + adenine
3.2.2.16Q9ZMY2Helicobacter pyloriS-methyl-5'-thioadenosine298.15H109A1.23.2.2.16_Q9ZMY2_Helicobacter pylori_S-methyl-5'-thioadenosine_298.15_H109A3.3e-053.2.2.16_Q9ZMY2_Helicobacter pylori_S-methyl-5'-thioadenosine_298.153.83.9e-053NM613,198H10911.231343111658510.64737225560490.583970856053567IHAHisAla3NM6_H109A_0.583970856053567_S-methyl-5'-thioadenosineS-methyl-5'-thioadenosine + H2O = S-methyl-5-thio-D-ribose + adenine
3.2.2.8P33022Escherichia coliInosine310.15Q227A0.1823.2.2.8_P33022_Escherichia coli_Inosine_310.15_Q227A0.004313.2.2.8_P33022_Escherichia coli_Inosine_310.150.0860.002341Q8F11Q22715.873048534625915.958640350181-0.0855918155550981NQAGlnAla1Q8F_Q227A_-0.0855918155550981_Inosinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliInosine310.15Q227F0.1253.2.2.8_P33022_Escherichia coli_Inosine_310.15_Q227F0.001773.2.2.8_P33022_Escherichia coli_Inosine_310.150.0860.002341Q8F11Q22715.556089190428315.958640350181-0.402551159752635NQFGlnPhe1Q8F_Q227F_-0.402551159752635_Inosinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliInosine310.15Q227Y0.5933.2.2.8_P33022_Escherichia coli_Inosine_310.15_Q227Y0.002143.2.2.8_P33022_Escherichia coli_Inosine_310.150.0860.002341Q8F11Q22714.713526861727615.958640350181-1.24511348845333DQYGlnTyr1Q8F_Q227Y_-1.24511348845333_Inosinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliInosine310.15T223A0.183.2.2.8_P33022_Escherichia coli_Inosine_310.15_T223A0.003293.2.2.8_P33022_Escherichia coli_Inosine_310.150.0860.002341Q8F11T22315.713417674008315.958640350181-0.245222676172627NTAThrAla1Q8F_T223A_-0.245222676172627_Inosinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliInosine310.15T223F0.1093.2.2.8_P33022_Escherichia coli_Inosine_310.15_T223F0.00533.2.2.8_P33022_Escherichia coli_Inosine_310.150.0860.002341Q8F11T22316.316456423429615.9586403501810.357816073248642NTFThrPhe1Q8F_T223F_0.357816073248642_Inosinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliInosine310.15T223Y0.0353.2.2.8_P33022_Escherichia coli_Inosine_310.15_T223Y0.001163.2.2.8_P33022_Escherichia coli_Inosine_310.150.0860.002341Q8F11T22316.080223550972115.9586403501810.121583200791168NTYThrTyr1Q8F_T223Y_0.121583200791168_Inosinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliuridine310.15Q227A46.93.2.2.8_P33022_Escherichia coli_uridine_310.15_Q227A0.000773.2.2.8_P33022_Escherichia coli_uridine_310.155.40.000121Q8F11Q22711.389791281253811.5763679308248-0.186576649571041NQAGlnAla1Q8F_Q227A_-0.186576649571041_uridinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliuridine310.15Q227F52.53.2.2.8_P33022_Escherichia coli_uridine_310.15_Q227F0.001193.2.2.8_P33022_Escherichia coli_uridine_310.155.40.000121Q8F11Q22711.588572966719811.57636793082480.0122050358949473NQFGlnPhe1Q8F_Q227F_0.0122050358949473_uridinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliuridine310.15Q227Y15.13.2.2.8_P33022_Escherichia coli_uridine_310.15_Q227Y0.000573.2.2.8_P33022_Escherichia coli_uridine_310.155.40.000121Q8F11Q22711.902931869307511.57636793082480.326563938482694NQYGlnTyr1Q8F_Q227Y_0.326563938482694_uridinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliuridine310.15T223A39.83.2.2.8_P33022_Escherichia coli_uridine_310.15_T223A0.000333.2.2.8_P33022_Escherichia coli_uridine_310.155.40.000121Q8F11T22310.96874438083711.5763679308248-0.607623549987835DTAThrAla1Q8F_T223A_-0.607623549987835_uridinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliuridine310.15T223F18.83.2.2.8_P33022_Escherichia coli_uridine_310.15_T223F0.000313.2.2.8_P33022_Escherichia coli_uridine_310.155.40.000121Q8F11T22311.392467766785211.5763679308248-0.183900164039674NTFThrPhe1Q8F_T223F_-0.183900164039674_uridinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.2.2.8P33022Escherichia coliuridine310.15T223Y44.33.2.2.8_P33022_Escherichia coli_uridine_310.15_T223Y0.001133.2.2.8_P33022_Escherichia coli_uridine_310.155.40.000121Q8F11T22311.661357605993511.57636793082480.0849896751686217NTYThrTyr1Q8F_T223Y_0.0849896751686217_uridinea pyrimidine nucleoside + H2O = D-ribose + a pyrimidine base
3.3.2.10P34913Homo sapiens1-myristoyl-glycerol-3-phosphate303.15C154Y0.323.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.15_C154Y6e-063.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.150.151.1e-055AI0335,466,524C15411.19898897516112.0205873445366-0.82159836937555DCYCysTyr5AI0_C154Y_-0.82159836937555_1-myristoyl-glycerol-3-phosphatean epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiens1-myristoyl-glycerol-3-phosphate303.15K55R0.413.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.15_K55R1.9e-053.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.150.151.1e-055AI0335,466,524K5511.744088033043812.0205873445366-0.276499311492831NKRLysArg5AI0_K55R_-0.276499311492831_1-myristoyl-glycerol-3-phosphatean epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiens1-myristoyl-glycerol-3-phosphate303.15R103C0.0683.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.15_R103C7e-063.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.150.151.1e-055AI0335,466,524R10312.22489479628112.02058734453660.204307451744413NRCArgCys5AI0_R103C_0.204307451744413_1-myristoyl-glycerol-3-phosphatean epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiens1-myristoyl-glycerol-3-phosphate303.15R287Q0.00463.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.15_R287Q1.2e-053.3.2.10_P34913_Homo sapiens_1-myristoyl-glycerol-3-phosphate_303.150.151.1e-055AI0335,466,524R28714.172197955423512.02058734453662.15161061088693IRQArgGln5AI0_R287Q_2.15161061088693_1-myristoyl-glycerol-3-phosphatean epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiens14,15-epoxyeicosatrienoicacid303.15C154Y153.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.15_C154Y9.2e-063.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.1557e-065AI0335,466,524C1549.138675611530739.63586729235523-0.497191680824502NCYCysTyr5AI0_C154Y_-0.497191680824502_14,15-epoxyeicosatrienoicacidan epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiens14,15-epoxyeicosatrienoicacid303.15K55R7.53.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.15_K55R7.4e-063.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.1557e-065AI0335,466,524K559.425082104224139.63586729235523-0.210785188131096NKRLysArg5AI0_K55R_-0.210785188131096_14,15-epoxyeicosatrienoicacidan epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiens14,15-epoxyeicosatrienoicacid303.15R103C2.13.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.15_R103C1e-053.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.1557e-065AI0335,466,524R10310.37333960842519.635867292355230.737472316069853IRCArgCys5AI0_R103C_0.737472316069853_14,15-epoxyeicosatrienoicacidan epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiens14,15-epoxyeicosatrienoicacid303.15R287Q0.443.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.15_R287Q9e-063.3.2.10_P34913_Homo sapiens_14,15-epoxyeicosatrienoicacid_303.1557e-065AI0335,466,524R28711.25140668904499.635867292355231.61553939668967IRQArgGln5AI0_R287Q_1.61553939668967_14,15-epoxyeicosatrienoicacidan epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiensAttoPhos303.15R103C0.0053.3.2.10_P34913_Homo sapiens_AttoPhos_303.15_R103C1.4e-053.3.2.10_P34913_Homo sapiens_AttoPhos_303.150.01319.7e-065AI0335,466,524R10314.214830919502313.4135437123160.80128720718635IRCArgCys5AI0_R103C_0.80128720718635_AttoPhosan epoxide + H2O = a glycol
3.3.2.10P34913Homo sapiensAttoPhos303.15R287Q0.0013.3.2.10_P34913_Homo sapiens_AttoPhos_303.15_R287Q1.7e-053.3.2.10_P34913_Homo sapiens_AttoPhos_303.150.01319.7e-065AI0335,466,524R28715.301358609242213.4135437123161.88781489692621IRQArgGln5AI0_R287Q_1.8878148969262_AttoPhosan epoxide + H2O = a glycol
3.3.2.10P34913Homo sapienstrans-1,3-diphenylpropeneoxide303.15C154Y2.553.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.15_C154Y4e-063.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.150.993.3e-065AI0335,466,524C1549.7043801936285610.1584701763144-0.454089982685881NCYCysTyr5AI0_C154Y_-0.454089982685881_trans-1,3-diphenylpropeneoxidean epoxide + H2O = a glycol
3.3.2.10P34913Homo sapienstrans-1,3-diphenylpropeneoxide303.15K55R1.723.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.15_K55R5.8e-063.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.150.993.3e-065AI0335,466,524K5510.165434689483310.15847017631440.00696451316882474NKRLysArg5AI0_K55R_0.00696451316882474_trans-1,3-diphenylpropeneoxidean epoxide + H2O = a glycol
3.3.2.10P34913Homo sapienstrans-1,3-diphenylpropeneoxide303.15R103C0.763.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.15_R103C5.9e-063.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.150.993.3e-065AI0335,466,524R10310.667769030060210.15847017631440.509298853745793IRCArgCys5AI0_R103C_0.509298853745793_trans-1,3-diphenylpropeneoxidean epoxide + H2O = a glycol
3.3.2.10P34913Homo sapienstrans-1,3-diphenylpropeneoxide303.15R287Q0.0763.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.15_R287Q1.01e-053.3.2.10_P34913_Homo sapiens_trans-1,3-diphenylpropeneoxide_303.150.993.3e-065AI0335,466,524R28712.378753586959310.15847017631442.22028341064485IRQArgGln5AI0_R287Q_2.22028341064485_trans-1,3-diphenylpropeneoxidean epoxide + H2O = a glycol
3.4.14.10Q9V6K1Drosophila melanogasterL-Ala-L-Ala-L-Ala4-nitroanilide310.15D387G1.253.4.14.10_Q9V6K1_Drosophila melanogaster_L-Ala-L-Ala-L-Ala4-nitroanilide_310.15_D387G7.3e-053.4.14.10_Q9V6K1_Drosophila melanogaster_L-Ala-L-Ala-L-Ala4-nitroanilide_310.15112.08e-053LXU44,272,462D38712.171884245364510.05769891329072.11418533207387IDGAspGly3LXU_D387G_2.11418533207387_L-Ala-L-Ala-L-Ala4-nitroanilideRelease of an N-terminal tripeptide from a polypeptide
3.4.14.10Q9V6K1Drosophila melanogasterL-Ala-L-Ala-L-Phe4-nitroanilide310.15D387G4.443.4.14.10_Q9V6K1_Drosophila melanogaster_L-Ala-L-Ala-L-Phe4-nitroanilide_310.15_D387G0.0002263.4.14.10_Q9V6K1_Drosophila melanogaster_L-Ala-L-Ala-L-Phe4-nitroanilide_310.15540.00011043LXU44,272,462D38712.087178193892110.10581511953891.98136307435321IDGAspGly3LXU_D387G_1.98136307435321_L-Ala-L-Ala-L-Phe4-nitroanilideRelease of an N-terminal tripeptide from a polypeptide
3.4.14.4Q08225Saccharomyces cerevisiaeArg-Arg-2-naphthylamide310.15C130S0.093.4.14.4_Q08225_Saccharomyces cerevisiae_Arg-Arg-2-naphthylamide_310.15_C130S8.89e-063.4.14.4_Q08225_Saccharomyces cerevisiae_Arg-Arg-2-naphthylamide_310.150.29151.2795e-053CSK461C13012.495802840939111.99589239731070.49991044362841NCSCysSer3CSK_C130S_0.49991044362841_Arg-Arg-2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q08225Saccharomyces cerevisiaeArg-Arg-2-naphthylamide310.15C518S0.1313.4.14.4_Q08225_Saccharomyces cerevisiae_Arg-Arg-2-naphthylamide_310.15_C518S1.191e-053.4.14.4_Q08225_Saccharomyces cerevisiae_Arg-Arg-2-naphthylamide_310.150.29151.2795e-053CSK461C51812.444686353434211.99589239731070.448793956123488NCSCysSer3CSK_C518S_0.448793956123488_Arg-Arg-2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q08225Saccharomyces cerevisiaeArg-Arg-2-naphthylamide310.15C639S0.2563.4.14.4_Q08225_Saccharomyces cerevisiae_Arg-Arg-2-naphthylamide_310.15_C639S1.097e-053.4.14.4_Q08225_Saccharomyces cerevisiae_Arg-Arg-2-naphthylamide_310.150.29151.2795e-053CSK461C63911.981083345399511.9958923973107-0.0148090519111879NCSCysSer3CSK_C639S_-0.0148090519111879_Arg-Arg-2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q08225Saccharomyces cerevisiaeL-Ala-L-Ala2-naphthylamide298.15K638L0.0023.4.14.4_Q08225_Saccharomyces cerevisiae_L-Ala-L-Ala2-naphthylamide_298.15_K638L0.00016433.4.14.4_Q08225_Saccharomyces cerevisiae_L-Ala-L-Ala2-naphthylamide_298.150.7770.00023163CSK461K63815.972497794053812.64332443971483.32917335433899IKLLysLeu3CSK_K638L_3.32917335433899_L-Ala-L-Ala2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q08225Saccharomyces cerevisiaeL-Ala-L-Ala2-naphthylamide298.15R582Q7.253.4.14.4_Q08225_Saccharomyces cerevisiae_L-Ala-L-Ala2-naphthylamide_298.15_R582Q9.45e-053.4.14.4_Q08225_Saccharomyces cerevisiae_L-Ala-L-Ala2-naphthylamide_298.150.7770.00023163CSK461R58210.788999183114712.6433244397148-1.8543252566001DRQArgGln3CSK_R582Q_-1.8543252566001_L-Ala-L-Ala2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q08225Saccharomyces cerevisiaeL-Arg-L-Arg2-naphthylamide298.15H578N0.0033.4.14.4_Q08225_Saccharomyces cerevisiae_L-Arg-L-Arg2-naphthylamide_298.15_H578N2.51e-053.4.14.4_Q08225_Saccharomyces cerevisiae_L-Arg-L-Arg2-naphthylamide_298.150.1381.475e-053CSK461H57814.619083500808912.0356798094192.58340369138989IHNHisAsn3CSK_H578N_2.58340369138989_L-Arg-L-Arg2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q08225Saccharomyces cerevisiaeL-Arg-L-Arg2-naphthylamide298.15K638L0.09253.4.14.4_Q08225_Saccharomyces cerevisiae_L-Arg-L-Arg2-naphthylamide_298.15_K638L4.55e-063.4.14.4_Q08225_Saccharomyces cerevisiae_L-Arg-L-Arg2-naphthylamide_298.150.1381.475e-053CSK461K63811.57586746775712.035679809419-0.459812341662042NKLLysLeu3CSK_K638L_-0.459812341662042_L-Arg-L-Arg2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q08225Saccharomyces cerevisiaeL-Arg-L-Arg2-naphthylamide298.15R582Q0.84653.4.14.4_Q08225_Saccharomyces cerevisiae_L-Arg-L-Arg2-naphthylamide_298.15_R582Q2.9e-063.4.14.4_Q08225_Saccharomyces cerevisiae_L-Arg-L-Arg2-naphthylamide_298.150.1381.475e-053CSK461R5829.9972920228412312.035679809419-2.0383877865778DRQArgGln3CSK_R582Q_-2.0383877865778_L-Arg-L-Arg2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q9NY33Homo sapiensAla-Ala-2-naphthylamide310.15W300F0.0853.4.14.4_Q9NY33_Homo sapiens_Ala-Ala-2-naphthylamide_310.15_W300F0.0003553.4.14.4_Q9NY33_Homo sapiens_Ala-Ala-2-naphthylamide_310.150.350.0002995E33451W30014.80357317573913.82547789341430.978095282324745IWFTrpPhe5E33_W300F_0.978095282324745_Ala-Ala-2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q9NY33Homo sapiensAla-Ala-2-naphthylamide310.15W300L0.023.4.14.4_Q9NY33_Homo sapiens_Ala-Ala-2-naphthylamide_310.15_W300L0.0004413.4.14.4_Q9NY33_Homo sapiens_Ala-Ala-2-naphthylamide_310.150.350.0002995E33451W30015.82905836469713.82547789341432.00358047128277IWLTrpLeu5E33_W300L_2.00358047128277_Ala-Ala-2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q9NY33Homo sapiensArg-Arg-2-naphthylamide310.15W300F10.73.4.14.4_Q9NY33_Homo sapiens_Arg-Arg-2-naphthylamide_310.15_W300F1.38e-053.4.14.4_Q9NY33_Homo sapiens_Arg-Arg-2-naphthylamide_310.1521.81.16e-055E33451W3009.821869204421199.276210243169460.54565896125173IWFTrpPhe5E33_W300F_0.54565896125173_Arg-Arg-2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.4Q9NY33Homo sapiensArg-Arg-2-naphthylamide310.15W300L1.43.4.14.4_Q9NY33_Homo sapiens_Arg-Arg-2-naphthylamide_310.15_W300L5.7e-053.4.14.4_Q9NY33_Homo sapiens_Arg-Arg-2-naphthylamide_310.1521.81.16e-055E33451W30011.94954979235259.276210243169462.673339549183IWLTrpLeu5E33_W300L_2.673339549183_Arg-Arg-2-naphthylamiderelease of an N-terminal dipeptide from a peptide comprising four or more residues, with broad specificity. Also acts on dipeptidyl 2-naphthylamides.
3.4.14.5P27487Homo sapiensGly-Pro-4-Nitroanilide;H2O295.15Y547F55603.4.14.5_P27487_Homo sapiens_Gly-Pro-4-Nitroanilide;H2O_295.15_Y547F0.044083.4.14.5_P27487_Homo sapiens_Gly-Pro-4-Nitroanilide;H2O_295.15279000.001434N8D630,708,740Y54710.38289316582227.426004405172782.95688876064945IYFTyrPhe4N8D_Y547F_2.95688876064944_Gly-Pro-4-Nitroanilide;H2OH2O + Gly-Pro-4-Nitroanilide = Gly-Pro + 4-Nitroaniline
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Arg298.15D260N0.63.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.15_D260N0.000873.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.153.60.000694DUK277D26013.580635199865312.3817003228021.19893487706333IDNAspAsn4DUK_D260N_1.19893487706333_benzyloxycarbonyl-Ala-Ala-Argreleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Arg298.15D263N1.13.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.15_D263N0.001353.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.153.60.000694DUK277D26313.481826547853212.3817003228021.10012622505123IDNAspAsn4DUK_D263N_1.10012622505123_benzyloxycarbonyl-Ala-Ala-Argreleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Arg298.15L211Q193.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.15_L211Q0.000523.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.153.60.000694DUK277L21111.22850143912.381700322802-1.15319888380195DLQLeuGln4DUK_L211Q_-1.15319888380195_benzyloxycarbonyl-Ala-Ala-Argreleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Arg298.15L254S4.63.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.15_L254S0.000273.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.153.60.000694DUK277L25411.680555163604512.381700322802-0.701145159197459DLSLeuSer4DUK_L254S_-0.701145159197459_benzyloxycarbonyl-Ala-Ala-Argreleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Arg298.15T257D9.53.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.15_T257D0.000673.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.153.60.000694DUK277T25711.789347892225312.381700322802-0.592352430576646DTDThrAsp4DUK_T257D_-0.592352430576646_benzyloxycarbonyl-Ala-Ala-Argreleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Arg298.15T262G12.83.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.15_T262G0.000593.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Arg_298.153.60.000694DUK277T26211.537357845723812.381700322802-0.844342477078172DTGThrGly4DUK_T262G_-0.844342477078172_benzyloxycarbonyl-Ala-Ala-Argreleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Leu298.15D260N1.13.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.15_D260N5.3e-053.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.154.74e-054DUK277D26011.563607634854810.53643272174841.02717491310647IDNAspAsn4DUK_D260N_1.02717491310647_benzyloxycarbonyl-Ala-Ala-Leureleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Leu298.15D263N9.73.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.15_D263N8.7e-053.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.154.74e-054DUK277D26310.567517754878810.53643272174840.0310850331304575NDNAspAsn4DUK_D263N_0.0310850331304575_benzyloxycarbonyl-Ala-Ala-Leureleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Leu298.15L211Q4.63.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.15_L211Q0.000433.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.154.74e-054DUK277L21111.956277124836410.53643272174841.41984440308802ILQLeuGln4DUK_L211Q_1.41984440308802_benzyloxycarbonyl-Ala-Ala-Leureleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Leu298.15L254S6.63.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.15_L254S0.000273.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.154.74e-054DUK277L25411.466659228055410.53643272174840.930226506307067ILSLeuSer4DUK_L254S_0.930226506307067_benzyloxycarbonyl-Ala-Ala-Leureleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Leu298.15T257D53.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.15_T257D0.000313.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.154.74e-054DUK277T25711.713004957466710.53643272174841.17657223571829ITDThrAsp4DUK_T257D_1.17657223571829_benzyloxycarbonyl-Ala-Ala-Leureleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.17.18P29068Thermoactinomyces vulgarisbenzyloxycarbonyl-Ala-Ala-Leu298.15T262G9.93.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.15_T262G6e-053.4.17.18_P29068_Thermoactinomyces vulgaris_benzyloxycarbonyl-Ala-Ala-Leu_298.154.74e-054DUK277T26210.335278946406710.5364327217484-0.201153775341666NTGThrGly4DUK_T262G_-0.201153775341666_benzyloxycarbonyl-Ala-Ala-Leureleases a C-terminal residue, which may be hydrophobic or positively charged
3.4.19.1Q9YBQ2Aeropyrum pernix2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Ala343.15D524A0.0009173.4.19.1_Q9YBQ2_Aeropyrum pernix_2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Ala_343.15_D524A7.1e-063.4.19.1_Q9YBQ2_Aeropyrum pernix_2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Ala_343.158.21.29e-061VE6445,524,556D52416.8685525964439.501180061310587.36737253513244IDAAspAla1VE6_D524A_7.36737253513244_2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Alacleavage of an N-acetyl or N-formyl amino acid from the N-terminus of a polypeptide
3.4.19.1Q9YBQ2Aeropyrum pernix2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Ala343.15D524N0.005253.4.19.1_Q9YBQ2_Aeropyrum pernix_2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Ala_343.15_D524N2.81e-063.4.19.1_Q9YBQ2_Aeropyrum pernix_2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Ala_343.158.21.29e-061VE6445,524,556D52415.04662898247619.501180061310585.54544892116549IDNAspAsn1VE6_D524N_5.54544892116549_2-aminobenzoyl-Ala-Leu-Phe-Gln-Gly-Pro-Phe(NO2)-Alacleavage of an N-acetyl or N-formyl amino acid from the N-terminus of a polypeptide
3.4.19.12P15374Homo sapiensubiquitin7-amido-4-methylcoumarin303.15Q89A1.033.4.19.12_P15374_Homo sapiens_ubiquitin7-amido-4-methylcoumarin_303.15_Q89A9.91e-083.4.19.12_P15374_Homo sapiens_ubiquitin7-amido-4-methylcoumarin_303.1518.67.71e-081XD395,169Q898.022783384388156.128384448167481.89439893622067IQAGlnAla1XD3_Q89A_1.89439893622067_ubiquitin7-amido-4-methylcoumarinThiol-dependent hydrolysis of ester, thioester, amide, peptide and isopeptide bonds formed by the C-terminal Gly of ubiquitin (a 76-residue protein attached to proteins as an intracellular targeting signal)
3.4.21.108O43464Homo sapiensbeta-casein310.15E292A0.00953.4.21.108_O43464_Homo sapiens_beta-casein_310.15_E292A5.15e-063.4.21.108_O43464_Homo sapiens_beta-casein_310.150.02043.645e-061LCY65,95,173E29213.54516572047212.86110662257260.684059097899405IEAGluAla1LCY_E292A_0.684059097899405_beta-caseincleavage of non-polar aliphatic amino-acids at the P1 position, with a preference for Val, Ile and Met. At the P2 and P3 positions, Arg is selected most strongly with a secondary preference for other hydrophilic residues
3.4.21.108O43464Homo sapiensbeta-casein310.15E296A0.01873.4.21.108_O43464_Homo sapiens_beta-casein_310.15_E296A4.68e-063.4.21.108_O43464_Homo sapiens_beta-casein_310.150.02043.645e-061LCY65,95,173E29613.068782345637312.86110662257260.207675723064794NEAGluAla1LCY_E296A_0.207675723064794_beta-caseincleavage of non-polar aliphatic amino-acids at the P1 position, with a preference for Val, Ile and Met. At the P2 and P3 positions, Arg is selected most strongly with a secondary preference for other hydrophilic residues
3.4.21.108O43464Homo sapiensbeta-casein310.15F16D2.5e-053.4.21.108_O43464_Homo sapiens_beta-casein_310.15_F16D9.3e-063.4.21.108_O43464_Homo sapiens_beta-casein_310.150.02043.645e-061LCY65,95,173F1617.57056064586412.86110662257264.7094540232914IFDPheAsp1LCY_F16D_4.7094540232914_beta-caseincleavage of non-polar aliphatic amino-acids at the P1 position, with a preference for Val, Ile and Met. At the P2 and P3 positions, Arg is selected most strongly with a secondary preference for other hydrophilic residues
3.4.21.108O43464Homo sapiensbeta-casein310.15G230A0.00513.4.21.108_O43464_Homo sapiens_beta-casein_310.15_G230A5.27333333333333e-063.4.21.108_O43464_Homo sapiens_beta-casein_310.150.02043.645e-061LCY65,95,173G23013.943143307195212.86110662257261.08203668462266IGAGlyAla1LCY_G230A_1.08203668462266_beta-caseincleavage of non-polar aliphatic amino-acids at the P1 position, with a preference for Val, Ile and Met. At the P2 and P3 positions, Arg is selected most strongly with a secondary preference for other hydrophilic residues
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15D138N59.53.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_D138N0.000773.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222D13811.357871476145911.10533603942730.252535436718562NDNAspAsn4DZT_D138N_0.252535436718562_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15D17N1103.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_D17N0.000983.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222D1711.125542315542411.10533603942730.0202062761150916NDNAspAsn4DZT_D17N_0.0202062761150916_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15D183N533.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_D183N0.000743.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222D18311.405131153027211.10533603942730.29979511359986NDNAspAsn4DZT_D183N_0.29979511359986_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15D212N75.23.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_D212N0.00113.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222D21211.434102728935411.10533603942730.328766689508084NDNAspAsn4DZT_D212N_0.328766689508084_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15D58N68.53.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_D58N0.000993.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222D5811.426608401828111.10533603942730.321272362400762NDNAspAsn4DZT_D58N_0.321272362400762_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15E237Q96.13.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_E237Q0.000913.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222E23711.163491829339511.10533603942730.0581557899122025NEQGluGln4DZT_E237Q_0.0581557899122025_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15G262D61.33.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_G262D0.000933.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222G26211.456810623809711.10533603942730.351474584382338NGDGlyAsp4DZT_G262D_0.351474584382338_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.111P08594Thermus aquaticusN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide313.15G61D47.23.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.15_G61D0.000823.4.21.111_P08594_Thermus aquaticus_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_313.1591.60.000794DZT39,70,222G6111.541135256120311.10533603942730.435799216692947NGDGlyAsp4DZT_G61D_0.435799216692947_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideexhibits low specificity towards esters of amino acids with small hydrophobic or aromatic residues at the P1 position
3.4.21.2Q99895Homo sapienssuccinyl-Ala-Ala-Pro-Phe4-nitroanilide295.15G217S2.73.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15_G217S0.0004823.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15151.3e-054H4F57,102,195G19612.20950178891629.084612702275633.12488908664053IGSGlySer4H4F_G217S_3.12488908664053_succinyl-Ala-Ala-Pro-Phe4-nitroanilidePreferential cleavage: Leu-/-, Tyr-/-, Phe-/-, Met-/-, Trp-/-, Gln-/-, Asn-/-
3.4.21.2Q99895Homo sapienssuccinyl-Ala-Ala-Pro-Phe4-nitroanilide295.15G32V103.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15_G32V0.000593.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15151.3e-054H4F57,102,195G1811.56012668456269.084612702275632.47551398228695IGVGlyVal4H4F_G32V_2.47551398228695_succinyl-Ala-Ala-Pro-Phe4-nitroanilidePreferential cleavage: Leu-/-, Tyr-/-, Phe-/-, Met-/-, Trp-/-, Gln-/-, Asn-/-
3.4.21.2Q99895Homo sapienssuccinyl-Ala-Ala-Pro-Phe4-nitroanilide295.15P249L0.63.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15_P249L0.0007613.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15151.3e-054H4F57,102,195P22513.35954235247219.084612702275634.27492965019652IPLProLeu4H4F_P249L_4.27492965019652_succinyl-Ala-Ala-Pro-Phe4-nitroanilidePreferential cleavage: Leu-/-, Tyr-/-, Phe-/-, Met-/-, Trp-/-, Gln-/-, Asn-/-
3.4.21.2Q99895Homo sapienssuccinyl-Ala-Ala-Pro-Phe4-nitroanilide295.15Q178R3.53.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15_Q178R0.0004953.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15151.3e-054H4F57,102,195Q16012.07290132835129.084612702275632.98828862607553IQRGlnArg4H4F_Q178R_2.98828862607553_succinyl-Ala-Ala-Pro-Phe4-nitroanilidePreferential cleavage: Leu-/-, Tyr-/-, Phe-/-, Met-/-, Trp-/-, Gln-/-, Asn-/-
3.4.21.2Q99895Homo sapienssuccinyl-Ala-Ala-Pro-Phe4-nitroanilide295.15R37Q14.43.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15_R37Q2e-053.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15151.3e-054H4F57,102,195R239.361221231791589.084612702275630.276608529515956NRQArgGln4H4F_R37Q_0.276608529515956_succinyl-Ala-Ala-Pro-Phe4-nitroanilidePreferential cleavage: Leu-/-, Tyr-/-, Phe-/-, Met-/-, Trp-/-, Gln-/-, Asn-/-
3.4.21.2Q99895Homo sapienssuccinyl-Ala-Ala-Pro-Phe4-nitroanilide295.15V250E1.43.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15_V250E0.0015393.4.21.2_Q99895_Homo sapiens_succinyl-Ala-Ala-Pro-Phe4-nitroanilide_295.15151.3e-054H4F57,102,195V22613.2756438680729.084612702275634.19103116579636IVEValGlu4H4F_V250E_4.19103116579636_succinyl-Ala-Ala-Pro-Phe4-nitroanilidePreferential cleavage: Leu-/-, Tyr-/-, Phe-/-, Met-/-, Trp-/-, Gln-/-, Asn-/-
3.4.21.62P00780Bacillus licheniformisN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide298.15N212G4753.4.21.62_P00780_Bacillus licheniformis_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_298.15_N212G0.0002273.4.21.62_P00780_Bacillus licheniformis_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_298.154190.0002331OYV32,64,221N2138.830256964665248.92003798743096-0.0897810227657221NNGAsnGly1OYV_N212G_-0.0897810227657221_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideHydrolysis of proteins with broad specificity for peptide bonds, and a preference for a large uncharged residue in P1. Hydrolyses peptide amides
3.4.21.62P00780Bacillus licheniformisN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide298.15P210A7153.4.21.62_P00780_Bacillus licheniformis_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_298.15_P210A0.0003253.4.21.62_P00780_Bacillus licheniformis_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_298.154190.0002331OYV32,64,221P2118.800577735152488.92003798743096-0.119460252278481NPAProAla1OYV_P210A_-0.119460252278481_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideHydrolysis of proteins with broad specificity for peptide bonds, and a preference for a large uncharged residue in P1. Hydrolyses peptide amides
3.4.21.62P00780Bacillus licheniformisN-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide298.15P210G6383.4.21.62_P00780_Bacillus licheniformis_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_298.15_P210G0.0002783.4.21.62_P00780_Bacillus licheniformis_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilide_298.154190.0002331OYV32,64,221P2118.775539321598188.92003798743096-0.144498665832781NPGProGly1OYV_P210G_-0.144498665832781_N-succinyl-Ala-Ala-Pro-Phe-4-nitroanilideHydrolysis of proteins with broad specificity for peptide bonds, and a preference for a large uncharged residue in P1. Hydrolyses peptide amides
3.4.22.38P43235Homo sapiensZ-Gly-Pro-Arg-7-amido-4-methylcoumarin301.15K9E23.4.22.38_P43235_Homo sapiens_Z-Gly-Pro-Arg-7-amido-4-methylcoumarin_301.15_K9E3.4e-063.4.22.38_P43235_Homo sapiens_Z-Gly-Pro-Arg-7-amido-4-methylcoumarin_301.152.94.8e-053KW925,162,182K99.6845269138106611.046514841562-1.36198792775131DKELysGlu3KW9_K9E_-1.36198792775131_Z-Gly-Pro-Arg-7-amido-4-methylcoumarinBroad proteolytic activity. With small-molecule substrates and inhibitors, the major determinant of specificity is P2, which is preferably Leu, Met &gt; Phe, and not Arg
3.4.22.38P43235Homo sapiensZ-Leu-Arg-7-amido-4-methylcoumarin301.15K9E5.73.4.22.38_P43235_Homo sapiens_Z-Leu-Arg-7-amido-4-methylcoumarin_301.15_K9E3.5e-063.4.22.38_P43235_Homo sapiens_Z-Leu-Arg-7-amido-4-methylcoumarin_301.156.23.3e-063KW925,162,182K99.075107213709818.989574681725080.085532531984736NKELysGlu3KW9_K9E_0.085532531984736_Z-Leu-Arg-7-amido-4-methylcoumarinBroad proteolytic activity. With small-molecule substrates and inhibitors, the major determinant of specificity is P2, which is preferably Leu, Met &gt; Phe, and not Arg
3.4.22.59P55212Homo sapiensN-acetyl-VEID-7-amido-4-methylcoumarin310.15E244A0.0513.4.22.59_P55212_Homo sapiens_N-acetyl-VEID-7-amido-4-methylcoumarin_310.15_E244A8.2e-053.4.22.59_P55212_Homo sapiens_N-acetyl-VEID-7-amido-4-methylcoumarin_310.150.79.3e-053OD5121,163E24414.215237266583312.67848538587971.53675188070362IEAGluAla3OD5_E244A_1.53675188070362_N-acetyl-VEID-7-amido-4-methylcoumarinstrict requirement for Asp at position P1 and has a preferred cleavage sequence of Val-Glu-His-Asp-/-
3.4.22.59P55212Homo sapiensN-acetyl-VEID-7-amido-4-methylcoumarin310.15H287A0.3093.4.22.59_P55212_Homo sapiens_N-acetyl-VEID-7-amido-4-methylcoumarin_310.15_H287A0.000143.4.22.59_P55212_Homo sapiens_N-acetyl-VEID-7-amido-4-methylcoumarin_310.150.79.3e-053OD5121,163H28713.434593046242712.67848538587970.756107660363014IHAHisAla3OD5_H287A_0.756107660363014_N-acetyl-VEID-7-amido-4-methylcoumarinstrict requirement for Asp at position P1 and has a preferred cleavage sequence of Val-Glu-His-Asp-/-
3.4.22.59P55212Homo sapiensN-acetyl-VEID-7-amido-4-methylcoumarin310.15K36A0.3713.4.22.59_P55212_Homo sapiens_N-acetyl-VEID-7-amido-4-methylcoumarin_310.15_K36A0.0001093.4.22.59_P55212_Homo sapiens_N-acetyl-VEID-7-amido-4-methylcoumarin_310.150.79.3e-053OD5121,163K3613.167624617056812.67848538587970.48913923117712NKALysAla3OD5_K36A_0.48913923117712_N-acetyl-VEID-7-amido-4-methylcoumarinstrict requirement for Asp at position P1 and has a preferred cleavage sequence of Val-Glu-His-Asp-/-
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15F50D1.63.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_F50D3.24e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230F5010.09992519184389.134724139814330.965201052029483IFDPheAsp2FPQ_F50D_0.965201052029483_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15H132Q0.863.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_H132Q3.556e-053.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230H13211.95908156621689.134724139814332.8243574264025IHQHisGln2FPQ_H132Q_2.8243574264025_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15I151D0.023.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_I151D7.96e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230I15113.35471341373869.134724139814334.21998927392432IIDIleAsp2FPQ_I151D_4.21998927392432_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15I191D1.43.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_I191D3.56e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230I19110.24027595132469.134724139814331.10555181151027IIDIleAsp2FPQ_I191D_1.10555181151027_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15L200D0.813.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_L200D2.4e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230L20010.33451434631079.134724139814331.19979020649635ILDLeuAsp2FPQ_L200D_1.19979020649635_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15P154D6.353.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_P154D1.186e-053.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230P15410.05009265115319.134724139814330.915368511338814IPDProAsp2FPQ_P154D_0.915368511338814_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15R372A0.173.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_R372A2.09e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230R37211.21151543160629.134724139814332.07679129179188IRAArgAla2FPQ_R372A_2.07679129179188_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15R63A0.43.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_R63A2.19e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230R6310.71294507299379.134724139814331.57822093317937IRAArgAla2FPQ_R63A_1.57822093317937_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15R63E0.153.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_R63E2.26e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230R6311.33685554649379.134724139814332.20213140667939IREArgGlu2FPQ_R63E_2.20213140667939_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15W315A1.523.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_W315A9.9e-063.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230W31510.81996049826169.134724139814331.68523635844731IWATrpAla2FPQ_W315A_1.68523635844731_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.4.24.69P19321Clostridium botulinumvesicle-associatedmembraneprotein-2310.15W315D3.923.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.15_W315D4.763e-053.4.24.69_P19321_Clostridium botulinum_vesicle-associatedmembraneprotein-2_310.156.882.91e-062FPQ230W31511.20427366108239.134724139814332.06954952126799IWDTrpAsp2FPQ_W315D_2.06954952126799_vesicle-associatedmembraneprotein-2Limited hydrolysis of proteins of the neuroexocytosis apparatus, synaptobrevin (also known as neuronal vesicle-associated membrane protein, VAMP), synaptosome-associated protein of 25 kDa (SNAP25) or syntaxin. No detected action on small molecule substrates
3.5.1.1Q8TZE8Pyrococcus furiosusL-asparagine310.15K274E24.93.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_310.15_K274E0.00433.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_310.1517.980.008124Q0M11,83,84,154,273K27412.84010550076413.4326016578484-0.592496157084396DKELysGlu4Q0M_K274E_-0.592496157084396_L-asparagineL-asparagine + H2O = L-aspartate + NH3
3.5.1.1Q8TZE8Pyrococcus furiosusL-asparagine310.15T53Q35.23.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_310.15_T53Q0.007523.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_310.1517.980.008124Q0M11,83,84,154,273T5312.971244670510713.4326016578484-0.461356987337789NTQThrGln4Q0M_T53Q_-0.461356987337789_L-asparagineL-asparagine + H2O = L-aspartate + NH3
3.5.1.1Q8TZE8Pyrococcus furiosusL-asparagine353.15K274E199.23.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_353.15_K274E0.00213.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_353.15888.60.01214Q0M11,83,84,154,273K27412.749135798044412.9287436481967-0.179607850152275NKELysGlu4Q0M_K274E_-0.179607850152275_L-asparagineL-asparagine + H2O = L-aspartate + NH3
3.5.1.1Q8TZE8Pyrococcus furiosusL-asparagine353.15T53Q246.73.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_353.15_T53Q0.00833.5.1.1_Q8TZE8_Pyrococcus furiosus_L-asparagine_353.15888.60.01214Q0M11,83,84,154,273T5313.563524586606612.92874364819670.634780938409893ITQThrGln4Q0M_T53Q_0.634780938409893_L-asparagineL-asparagine + H2O = L-aspartate + NH3
3.5.1.19P53184Saccharomyces cerevisiaenicotinamide298.15D51A0.0073.5.1.19_P53184_Saccharomyces cerevisiae_nicotinamide_298.15_D51A2.4e-063.5.1.19_P53184_Saccharomyces cerevisiae_nicotinamide_298.150.699.6e-063V8E8,122,167D5112.726265117600510.8276462105971.89861890700357IDAAspAla3V8E_D51A_1.89861890700357_nicotinamidenicotinamide + H2O = nicotinate + NH3
3.5.1.19P53184Saccharomyces cerevisiaenicotinamide298.15D51N0.0643.5.1.19_P53184_Saccharomyces cerevisiae_nicotinamide_298.15_D51N1.8e-063.5.1.19_P53184_Saccharomyces cerevisiae_nicotinamide_298.150.699.6e-063V8E8,122,167D811.244658000391410.8276462105970.417011789794472NDNAspAsn3V8E_D51N_0.417011789794472_nicotinamidenicotinamide + H2O = nicotinate + NH3
3.5.1.19P53184Saccharomyces cerevisiaenicotinamide298.15H94A0.023.5.1.19_P53184_Saccharomyces cerevisiae_nicotinamide_298.15_H94A2.7e-063.5.1.19_P53184_Saccharomyces cerevisiae_nicotinamide_298.150.699.6e-063V8E8,122,167H9412.174043502137810.8276462105971.34639729154085IHAHisAla3V8E_H94A_1.34639729154085_nicotinamidenicotinamide + H2O = nicotinate + NH3
3.5.1.4P11436Pseudomonas aeruginosa4-Nitroacetanilide;H2O298.15T103I33.8453.5.1.4_P11436_Pseudomonas aeruginosa_4-Nitroacetanilide;H2O_298.15_T103I0.0016453.5.1.4_P11436_Pseudomonas aeruginosa_4-Nitroacetanilide;H2O_298.151.6450.002492UXY59,134,166T10311.568775697820413.6060995886323-2.03732389081191DTIThrIle2UXY_T103I_-2.0373238908119_4-Nitroacetanilide;H2O4-Nitroacetanilide + H2O = 4-Nitroaniline + Acetate
3.5.1.4P11436Pseudomonas aeruginosaAcetamide;H2O298.15C91A18.7553.5.1.4_P11436_Pseudomonas aeruginosa_Acetamide;H2O_298.15_C91A0.000517253.5.1.4_P11436_Pseudomonas aeruginosa_Acetamide;H2O_298.1510.60.001013333333333332UXY59,134,166C9111.233049433574811.9695592748187-0.736509841243946DCACysAla2UXY_C91A_-0.736509841243945_Acetamide;H2OAcetamide + H2O = Acetate + NH3
3.5.1.4P11436Pseudomonas aeruginosaAcetamide;H2O298.15T103I14.87666666666673.5.1.4_P11436_Pseudomonas aeruginosa_Acetamide;H2O_298.15_T103I0.006103333333333333.5.1.4_P11436_Pseudomonas aeruginosa_Acetamide;H2O_298.1510.60.001013333333333332UXY59,134,166T10312.832606270805511.96955927481870.863046995986808ITIThrIle2UXY_T103I_0.863046995986808_Acetamide;H2OAcetamide + H2O = Acetate + NH3
3.5.1.4P11436Pseudomonas aeruginosaAcrylamide;H2O298.15T103I1.153.5.1.4_P11436_Pseudomonas aeruginosa_Acrylamide;H2O_298.15_T103I0.01066666666666673.5.1.4_P11436_Pseudomonas aeruginosa_Acrylamide;H2O_298.1562.3020.0072542UXY59,134,166T10314.680172596402912.08637904277812.59379355362472ITIThrIle2UXY_T103I_2.59379355362472_Acrylamide;H2ONH3 + Acrylate = H2O + Acrylamide
3.5.1.4P11436Pseudomonas aeruginosaH2O;4-Nitroacetanilide298.15T103I23.493.5.1.4_P11436_Pseudomonas aeruginosa_H2O;4-Nitroacetanilide_298.15_T103I0.001233.5.1.4_P11436_Pseudomonas aeruginosa_H2O;4-Nitroacetanilide_298.151.090.001762UXY59,134,166T10311.612910256839513.6443706070739-2.03146035023445DTIThrIle2UXY_T103I_-2.03146035023445_H2O;4-Nitroacetanilide4-Nitroacetanilide + H2O = 4-Nitroaniline + Acetate
3.5.1.4P11436Pseudomonas aeruginosaH2O;Acetamide298.15C91A25.053.5.1.4_P11436_Pseudomonas aeruginosa_H2O;Acetamide_298.15_C91A0.0007163.5.1.4_P11436_Pseudomonas aeruginosa_H2O;Acetamide_298.1514.37333333333330.001356666666666672UXY59,134,166C9111.254225181632411.9620138545412-0.707788672908764DCACysAla2UXY_C91A_-0.707788672908764_H2O;AcetamideAcetamide + H2O = Acetate + NH3
3.5.1.4P11436Pseudomonas aeruginosaH2O;Acrylamide298.15T103I1.183.5.1.4_P11436_Pseudomonas aeruginosa_H2O;Acrylamide_298.15_T103I0.01133.5.1.4_P11436_Pseudomonas aeruginosa_H2O;Acrylamide_298.1572.030.009846666666666672UXY59,134,166T10314.699088720619112.18146784004652.51762088057267ITIThrIle2UXY_T103I_2.51762088057267_H2O;AcrylamideNH3 + Acrylate = H2O + Acrylamide
3.5.2.6P00808Bacillus licheniformispenicillinG295.15E166C1.213.5.2.6_P00808_Bacillus licheniformis_penicillinG_295.15_E166C3.995e-053.5.2.6_P00808_Bacillus licheniformis_penicillinG_295.1526124.8e-051W7F70,168E16611.21963127042026.824394018432144.39523725198808IECGluCys1W7F_E166C_4.39523725198808_penicillinGa beta-lactam + H2O = a substituted beta-amino acid
3.5.2.6P0AD64Klebsiella pneumoniaeAmpicillin;H2O298.15R244L8003.5.2.6_P0AD64_Klebsiella pneumoniae_Ampicillin;H2O_298.15_R244L0.002243.5.2.6_P0AD64_Klebsiella pneumoniae_Ampicillin;H2O_298.1537000.0001651ONG70,168R2449.877765706290557.425007973504922.45275773278563IRLArgLeu1ONG_R244L_2.45275773278563_Ampicillin;H2OH2O + Ampicillin = Substituted beta-amino acid
3.5.2.6P0AD64Klebsiella pneumoniaeAmpicillin;H2O298.15R244S3903.5.2.6_P0AD64_Klebsiella pneumoniae_Ampicillin;H2O_298.15_R244S0.0002553.5.2.6_P0AD64_Klebsiella pneumoniae_Ampicillin;H2O_298.1537000.0001651ONG70,168R2449.015990925342567.425007973504921.59098295183764IRSArgSer1ONG_R244S_1.59098295183764_Ampicillin;H2OH2O + Ampicillin = Substituted beta-amino acid
3.5.2.6P0AD64Klebsiella pneumoniaeNitrocefin;H2O298.15R244L2303.5.2.6_P0AD64_Klebsiella pneumoniae_Nitrocefin;H2O_298.15_R244L0.000593.5.2.6_P0AD64_Klebsiella pneumoniae_Nitrocefin;H2O_298.152902.1e-051ONG70,168R2449.825877898946877.712236571378342.11364132756853IRLArgLeu1ONG_R244L_2.11364132756853_Nitrocefin;H2OH2O + Nitrocefin = Substituted beta-amino acid
3.5.2.6P0AD64Klebsiella pneumoniaeNitrocefin;H2O298.15R244Q2703.5.2.6_P0AD64_Klebsiella pneumoniae_Nitrocefin;H2O_298.15_R244Q0.000113.5.2.6_P0AD64_Klebsiella pneumoniae_Nitrocefin;H2O_298.152902.1e-051ONG70,168R2448.73570968331727.712236571378341.02347311193886IRQArgGln1ONG_R244Q_1.02347311193886_Nitrocefin;H2OH2O + Nitrocefin = Substituted beta-amino acid
3.5.2.6P0AD64Klebsiella pneumoniaeNitrocefin;H2O298.15R244S1073.5.2.6_P0AD64_Klebsiella pneumoniae_Nitrocefin;H2O_298.15_R244S5.5e-053.5.2.6_P0AD64_Klebsiella pneumoniae_Nitrocefin;H2O_298.152902.1e-051ONG70,168R2448.873431025938057.712236571378341.16119445455971IRSArgSer1ONG_R244S_1.16119445455971_Nitrocefin;H2OH2O + Nitrocefin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliCephaloridine;H2O295.15D179N1.33.5.2.6_P62593_Escherichia coli_Cephaloridine;H2O_295.15_D179N9e-043.5.2.6_P62593_Escherichia coli_Cephaloridine;H2O_295.157800.000671M4070,168D17913.00444282195899.079383609923043.92505921203583IDNAspAsn1M40_D179N_3.92505921203583_Cephaloridine;H2OH2O + Cephaloridine = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliCephaloridine;H2O303.15A273T8543.5.2.6_P62593_Escherichia coli_Cephaloridine;H2O_303.15_A273T0.0003373.5.2.6_P62593_Escherichia coli_Cephaloridine;H2O_303.159470.0006971M4070,168A2378.873005837292849.24851734914069-0.375511511847858NATAlaThr1M40_A273T_-0.375511511847858_Cephaloridine;H2OH2O + Cephaloridine = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliCephaloridine;H2O303.15W165S3983.5.2.6_P62593_Escherichia coli_Cephaloridine;H2O_303.15_W165S0.0010123.5.2.6_P62593_Escherichia coli_Cephaloridine;H2O_303.159470.0006971M4070,168W1659.995369411144499.248517349140690.7468520620038IWSTrpSer1M40_W165S_0.7468520620038_Cephaloridine;H2OH2O + Cephaloridine = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Ampicillin303.15A237T3023.5.2.6_P62593_Escherichia coli_H2O;Ampicillin_303.15_A237T6.3e-053.5.2.6_P62593_Escherichia coli_H2O;Ampicillin_303.151258.51e-041M4070,168A2378.488994460746867.907527090411480.581467370335385IATAlaThr1M40_A237T_0.581467370335385_H2O;AmpicillinH2O + Ampicillin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Ampicillin303.15N132D525.23.5.2.6_P62593_Escherichia coli_H2O;Ampicillin_303.15_N132D0.000263.5.2.6_P62593_Escherichia coli_H2O;Ampicillin_303.151258.51e-041M4070,168N1329.009605859654467.907527090411481.10207876924299INDAsnAsp1M40_N132D_1.10207876924299_H2O;AmpicillinH2O + Ampicillin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Ampicillin303.15W165S4483.5.2.6_P62593_Escherichia coli_H2O;Ampicillin_303.15_W165S6.3e-053.5.2.6_P62593_Escherichia coli_H2O;Ampicillin_303.151258.51e-041M4070,168W1658.251418914414547.907527090411480.343891824003068NWSTrpSer1M40_W165S_0.343891824003068_H2O;AmpicillinH2O + Ampicillin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Cefotaxime295.15R164N5.93.5.2.6_P62593_Escherichia coli_H2O;Cefotaxime_295.15_R164N0.0002573.5.2.6_P62593_Escherichia coli_H2O;Cefotaxime_295.150.180.000231M4070,168R16411.382166662841213.3638936452013-1.98172698236007DRNArgAsn1M40_R164N_-1.98172698236007_H2O;CefotaximeH2O + Cefotaxime = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Ceftazidime295.15D179G0.0413.5.2.6_P62593_Escherichia coli_H2O;Ceftazidime_295.15_D179G9.6e-053.5.2.6_P62593_Escherichia coli_H2O;Ceftazidime_295.150.0082e-041M4070,168D17913.719125251955815.1080772349665-1.38895198301075DDGAspGly1M40_D179G_-1.38895198301075_H2O;CeftazidimeH2O + Ceftazidime = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Ceftazidime295.15D179N0.0423.5.2.6_P62593_Escherichia coli_H2O;Ceftazidime_295.15_D179N0.000113.5.2.6_P62593_Escherichia coli_H2O;Ceftazidime_295.150.0082e-041M4070,168D17913.784836468177515.1080772349665-1.32324076678899DDNAspAsn1M40_D179N_-1.32324076678899_H2O;CeftazidimeH2O + Ceftazidime = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Ceftazidime295.15R164N83.5.2.6_P62593_Escherichia coli_H2O;Ceftazidime_295.15_R164N0.0002963.5.2.6_P62593_Escherichia coli_H2O;Ceftazidime_295.150.0082e-041M4070,168R16411.286442209526115.1080772349665-3.82163502544044DRNArgAsn1M40_R164N_-3.82163502544044_H2O;CeftazidimeH2O + Ceftazidime = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Cephalosporin C295.15D179N0.0623.5.2.6_P62593_Escherichia coli_H2O;Cephalosporin C_295.15_D179N3.8e-053.5.2.6_P62593_Escherichia coli_H2O;Cephalosporin C_295.15330.000951M4070,168D17912.932990207117111.13924560441221.79374460270491IDNAspAsn1M40_D179N_1.79374460270491_H2O;Cephalosporin CH2O + Cephalosporin C = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Cephalothin295.15D179N0.213.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15_D179N4.8e-053.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15730.00019351M4070,168D17912.35446544777889.740301182669092.61416426510967IDNAspAsn1M40_D179N_2.61416426510967_H2O;CephalothinH2O + Cephalothin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Cephalothin295.15Y105D513.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15_Y105D0.002863.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15730.00019351M4070,168Y10511.53033927508859.740301182669091.79003809241938IYDTyrAsp1M40_Y105D_1.79003809241938_H2O;CephalothinH2O + Cephalothin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Cephalothin295.15Y105G453.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15_Y105G0.001633.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15730.00019351M4070,168Y10511.27398140150489.740301182669091.53368021883569IYGTyrGly1M40_Y105G_1.53368021883569_H2O;CephalothinH2O + Cephalothin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Cephalothin295.15Y105R903.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15_Y105R0.0005463.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_295.15730.00019351M4070,168Y10510.22593954766639.740301182669090.485638364997229NYRTyrArg1M40_Y105R_0.485638364997229_H2O;CephalothinH2O + Cephalothin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Cephalothin303.15E240C323.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_303.15_E240C6.6e-053.5.2.6_P62593_Escherichia coli_H2O;Cephalothin_303.151150.0003471M4070,168E2409.8692743003040110.0984807342949-0.229206433990898NECGluCys1M40_E240C_-0.229206433990898_H2O;CephalothinH2O + Cephalothin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Penicillin G295.15R164S21.93.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_295.15_R164S2.4e-053.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_295.1514058.15e-051M4070,168R1649.222251601329077.498594433378041.72365716795103IRSArgSer1M40_R164S_1.72365716795103_H2O;Penicillin GPenicillin G + H2O = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Penicillin G295.15Y105N16163.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_295.15_Y105N0.0002763.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_295.1514058.15e-051M4070,168Y1058.131972799010437.498594433378040.633378365632393IYNTyrAsn1M40_Y105N_0.633378365632393_H2O;Penicillin GPenicillin G + H2O = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Penicillin G295.15Y105W9003.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_295.15_Y105W2.3e-053.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_295.1514058.15e-051M4070,168Y1057.017812649032037.49859443337804-0.480781784346007NYWTyrTrp1M40_Y105W_-0.480781784346007_H2O;Penicillin GPenicillin G + H2O = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliH2O;Penicillin G303.15N132D372.53.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_303.15_N132D5e-053.5.2.6_P62593_Escherichia coli_H2O;Penicillin G_303.15781.93.3e-051M4070,168N1328.223372762919187.526365396230270.697007366688908INDAsnAsp1M40_N132D_0.697007366688908_H2O;Penicillin GPenicillin G + H2O = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliPiperacillin;H2O295.15D179G0.433.5.2.6_P62593_Escherichia coli_Piperacillin;H2O_295.15_D179G3.1e-053.5.2.6_P62593_Escherichia coli_Piperacillin;H2O_295.157707e-051M4070,168D17911.67767812106457.762117203660543.91556091740395IDGAspGly1M40_D179G_3.91556091740395_Piperacillin;H2OH2O + Piperacillin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliPiperacillin;H2O295.15D179N0.743.5.2.6_P62593_Escherichia coli_Piperacillin;H2O_295.15_D179N5.5e-053.5.2.6_P62593_Escherichia coli_Piperacillin;H2O_295.157707e-051M4070,168D17911.69555602117487.762117203660543.93343881751429IDNAspAsn1M40_D179N_3.93343881751429_Piperacillin;H2OH2O + Piperacillin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliPiperacillin;H2O295.15R164S113.5.2.6_P62593_Escherichia coli_Piperacillin;H2O_295.15_R164S2.2e-053.5.2.6_P62593_Escherichia coli_Piperacillin;H2O_295.157707e-051M4070,168R1649.57509388913237.762117203660541.81297668547176IRSArgSer1M40_R164S_1.81297668547176_Piperacillin;H2OH2O + Piperacillin = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliSubstituted beta-amino acid303.15A237T1963.5.2.6_P62593_Escherichia coli_Substituted beta-amino acid_303.15_A237T2.7e-053.5.2.6_P62593_Escherichia coli_Substituted beta-amino acid_303.1512847.5e-051M4070,168A2378.238997367549347.722136177786060.516861189763283IATAlaThr1M40_A237T_0.516861189763283_Substituted beta-amino acidPenicillin G + H2O = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliSubstituted beta-amino acid303.15E240C2463.5.2.6_P62593_Escherichia coli_Substituted beta-amino acid_303.15_E240C4.5e-053.5.2.6_P62593_Escherichia coli_Substituted beta-amino acid_303.1512847.5e-051M4070,168E2408.409849992492217.722136177786060.687713814706152IECGluCys1M40_E240C_0.687713814706152_Substituted beta-amino acidPenicillin G + H2O = Substituted beta-amino acid
3.5.2.6P62593Escherichia coliSubstituted beta-amino acid303.15W165S8993.5.2.6_P62593_Escherichia coli_Substituted beta-amino acid_303.15_W165S0.0001323.5.2.6_P62593_Escherichia coli_Substituted beta-amino acid_303.1512847.5e-051M4070,168W1658.277429999062217.722136177786060.555293821276152IWSTrpSer1M40_W165S_0.555293821276152_Substituted beta-amino acidPenicillin G + H2O = Substituted beta-amino acid
3.5.3.6P13981Pseudomonas aeruginosaL-Arginine;H2O298.15E224D0.00373.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.15_E224D0.00423.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.156.30.000142A9G406E22417.528346650703111.10508802097126.4232586297319IEDGluAsp2A9G_E224D_6.4232586297319_L-Arginine;H2OH2O + L-Arginine = L-Citrulline + NH3
3.5.3.6P13981Pseudomonas aeruginosaL-Arginine;H2O298.15R185L0.00843.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.15_R185L0.00483.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.156.30.000142A9G406R18517.121682412432111.10508802097126.0165943914609IRLArgLeu2A9G_R185L_6.0165943914609_L-Arginine;H2OH2O + L-Arginine = L-Citrulline + NH3
3.5.3.6P13981Pseudomonas aeruginosaL-Arginine;H2O298.15R243A0.000893.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.15_R243A0.00263.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.156.30.000142A9G406R24318.088421373569911.10508802097126.98333335259869IRAArgAla2A9G_R243A_6.98333335259869_L-Arginine;H2OH2O + L-Arginine = L-Citrulline + NH3
3.5.3.6P13981Pseudomonas aeruginosaL-Arginine;H2O298.15R243K0.002013.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.15_R243K0.00693.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.156.30.000142A9G406R24318.184014171356211.10508802097127.078926150385IRKArgLys2A9G_R243K_7.078926150385_L-Arginine;H2OH2O + L-Arginine = L-Citrulline + NH3
3.5.3.6P13981Pseudomonas aeruginosaL-Arginine;H2O298.15R243L0.0093.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.15_R243L0.0383.5.3.6_P13981_Pseudomonas aeruginosa_L-Arginine;H2O_298.156.30.000142A9G406R24318.306644231685811.10508802097127.20155621071456IRLArgLeu2A9G_R243L_7.20155621071456_L-Arginine;H2OH2O + L-Arginine = L-Citrulline + NH3
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15D125A0.0143.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_D125A9.1e-063.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267D12512.96745758734547.844683962930845.12277362441454IDAAspAla5UZ0_D125A_5.12277362441454_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15D125E0.1473.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_D125E5.2e-063.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267D12511.26008572946387.844683962930843.41540176653291IDEAspGlu5UZ0_D125E_3.41540176653291_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15D125N0.6033.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_D125N2.7e-063.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267D12510.04780020136047.844683962930842.20311623842954IDNAspAsn5UZ0_D125N_2.20311623842954_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15K137A0.2763.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_K137A3.1e-053.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267K13711.93773455465877.844683962930844.09305059172786IKALysAla5UZ0_K137A_4.09305059172786_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15K137R0.5073.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_K137R2.7e-063.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267K13710.14950743767817.844683962930842.30482347474731IKRLysArg5UZ0_K137R_2.30482347474731_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15K66A0.0623.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_K66A0.0001153.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267K6613.58247737986967.844683962930845.73779341693878IKALysAla5UZ0_K66A_5.73779341693878_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15Y104A0.1363.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_Y104A3e-063.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267Y10410.9830879078417.844683962930843.13840394491013IYATyrAla5UZ0_Y104A_3.13840394491013_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.10P31939Homo sapiens1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide295.15Y104F0.0363.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.15_Y104F3.6e-063.5.4.10_P31939_Homo sapiens_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide_295.158.69e-075UZ0137,267Y10411.86959699249957.844683962930844.02491302956865IYFTyrPhe5UZ0_Y104F_4.02491302956865_1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide = H2O + IMP
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15D188A106.53.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_D188A0.00223.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249D18811.179117659296812.223609289023-1.04449162972614DDAAspAla4CQB_D188A_-1.04449162972614_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15D188N14.13.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_D188N0.00193.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249D18812.301429468336712.2236092890230.0778201793137754NDNAspAsn4CQB_D188N_0.0778201793137754_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15D303A35.83.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_D303A0.00173.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249D30311.677247656698712.223609289023-0.546361632324247DDAAspAla4CQB_D303A_-0.546361632324247_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15H219A16.83.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_H219A0.00163.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249H21912.093735054214412.223609289023-0.129874234808613NHAHisAla4CQB_H219A_-0.129874234808613_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15K65R332.23.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_K65R0.00243.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249K6510.550398343238512.223609289023-1.67321094578449DKRLysArg4CQB_K65R_-1.67321094578449_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15N304A29.33.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_N304A0.00423.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249N30412.338424356675512.2236092890230.114815067652485NNAAsnAla4CQB_N304A_0.114815067652485_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15N304D1893.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_N304D0.0253.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249N30412.290328067736412.2236092890230.0667187787134385NNDAsnAsp4CQB_N304D_0.0667187787134385_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15Q160A233.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_Q160A0.00183.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249Q16011.976240139590912.223609289023-0.247369149432053NQAGlnAla4CQB_Q160A_-0.247369149432053_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15Q160R10.43.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_Q160R0.00133.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249Q16012.256473583140212.2236092890230.0328642941172053NQRGlnArg4CQB_Q160R_0.0328642941172053_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15W309A42.43.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_W309A0.00563.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249W30912.289424065671612.2236092890230.0658147766486295NWATrpAla4CQB_W309A_0.0658147766486294_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.5.4.42O52063Pseudomonas sp. ADPammelide301.15W309F21.33.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.15_W309F0.0033.5.4.42_O52063_Pseudomonas sp. ADP_ammelide_301.1526.20.00314CQB249W30912.327896561106112.2236092890230.104287272083166NWFTrpPhe4CQB_W309F_0.104287272083166_ammelideN-isopropylammelide + H2O = cyanuric acid + isopropylamine
3.6.1.29P49789Homo sapiensH2O;Adenosine-5'-phosphoimidazolide299.65H96G0.913.6.1.29_P49789_Homo sapiens_H2O;Adenosine-5'-phosphoimidazolide_299.65_H96G2.6e-053.6.1.29_P49789_Homo sapiens_H2O;Adenosine-5'-phosphoimidazolide_299.654.46.2e-061FIT96H9611.31359610698159.521556207007111.79203989997442IHGHisGly1FIT_H96G_1.79203989997442_H2O;Adenosine-5'-phosphoimidazolideH2O + Adenosine-5'-phosphoimidazolide = AMP + Imidazole
3.6.1.5P97687Rattus norvegicusADP298.15Y409F31.13.6.1.5_P97687_Rattus norvegicus_ADP_298.15_Y409F5.1e-063.6.1.5_P97687_Rattus norvegicus_ADP_298.1577.34.7e-063ZX3174Y4098.196530736222637.608685756438770.587844979783853IYFTyrPhe3ZX3_Y409F_0.587844979783853_ADPa nucleoside 5'-triphosphate + 2 H2O = a nucleoside 5'-phosphate + 2 phosphate, a nucleoside 5'-triphosphate + H2O = a nucleoside 5'-diphosphate + phosphate, a nucleoside 5'-diphosphate + H2O = a nucleoside 5'-phosphate + phosphate
3.6.1.57Q0P8U5Campylobacter jejuniUDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose310.15H17N2.83.6.1.57_Q0P8U5_Campylobacter jejuni_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose_310.15_H17N0.00133.6.1.57_Q0P8U5_Campylobacter jejuni_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose_310.15250.000253HBM17H1713.449658534809611.08422035116452.36543818364514IHNHisAsn3HBM_H17N_2.36543818364514_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranoseUDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose + H2O = 2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose + UDP
3.6.1.57Q0P8U5Campylobacter jejuniUDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose310.15N255A0.273.6.1.57_Q0P8U5_Campylobacter jejuni_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose_310.15_N255A0.000443.6.1.57_Q0P8U5_Campylobacter jejuni_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose_310.15250.000253HBM17N25514.223532602731811.08422035116453.13931225156733INAAsnAla3HBM_N255A_3.13931225156733_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranoseUDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose + H2O = 2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose + UDP
3.6.1.57Q0P8U5Campylobacter jejuniUDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose310.15Y78F8.33.6.1.57_Q0P8U5_Campylobacter jejuni_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose_310.15_Y78F0.000883.6.1.57_Q0P8U5_Campylobacter jejuni_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose_310.15250.000253HBM17Y7812.539435438659111.08422035116451.4552150874946IYFTyrPhe3HBM_Y78F_1.4552150874946_UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranoseUDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose + H2O = 2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose + UDP
3.7.1.18Q93TU6Rhodococcus sp.H2O;6-Oxocamphor298.15D154N1.423.7.1.18_Q93TU6_Rhodococcus sp._H2O;6-Oxocamphor_298.15_D154N0.004013.7.1.18_Q93TU6_Rhodococcus sp._H2O;6-Oxocamphor_298.15642.864e-051SZO124D15413.97557015026867.622362698948596.35320745131996IDNAspAsn1SZO_D154N_6.35320745131996_H2O;6-OxocamphorH2O + 6-Oxocamphor = alpha-Campholinic acid
3.7.1.18Q93TU6Rhodococcus sp.H2O;6-Oxocamphor298.15E244Q20.43.7.1.18_Q93TU6_Rhodococcus sp._H2O;6-Oxocamphor_298.15_E244Q8e-053.7.1.18_Q93TU6_Rhodococcus sp._H2O;6-Oxocamphor_298.15642.864e-051SZO124E24410.07735838124167.622362698948592.45499568229305IEQGluGln1SZO_E244Q_2.45499568229305_H2O;6-OxocamphorH2O + 6-Oxocamphor = alpha-Campholinic acid
3.8.1.7A5JTM5Pseudomonas sp.4-Chlorobenzoyl-CoA;H2O298.15A112V0.133.8.1.7_A5JTM5_Pseudomonas sp._4-Chlorobenzoyl-CoA;H2O_298.15_A112V6.6e-063.8.1.7_A5JTM5_Pseudomonas sp._4-Chlorobenzoyl-CoA;H2O_298.150.63.7e-061NZY90,145A11211.594599917642110.34555779973151.24904211791059IAVAlaVal1NZY_A112V_1.24904211791059_4-Chlorobenzoyl-CoA;H2OH2O + 4-Chlorobenzoyl-CoA = 4-Hydroxybenzoyl-CoA + Cl-
3.8.1.7A5JTM5Pseudomonas sp.4-Chlorobenzoyl-CoA;H2O298.15G113A0.0083.8.1.7_A5JTM5_Pseudomonas sp._4-Chlorobenzoyl-CoA;H2O_298.15_G113A2.6e-053.8.1.7_A5JTM5_Pseudomonas sp._4-Chlorobenzoyl-CoA;H2O_298.150.63.7e-061NZY90,145G11314.058826880995710.34555779973153.7132690812642IGAGlyAla1NZY_G113A_3.7132690812642_4-Chlorobenzoyl-CoA;H2OH2O + 4-Chlorobenzoyl-CoA = 4-Hydroxybenzoyl-CoA + Cl-
3.8.1.7A5JTM5Pseudomonas sp.4-Chlorobenzoyl-CoA;H2O298.15Y65D0.443.8.1.7_A5JTM5_Pseudomonas sp._4-Chlorobenzoyl-CoA;H2O_298.15_Y65D1.1e-053.8.1.7_A5JTM5_Pseudomonas sp._4-Chlorobenzoyl-CoA;H2O_298.150.63.7e-061NZY90,145Y6511.174873010681310.34555779973150.82931521094979IYDTyrAsp1NZY_Y65D_0.82931521094979_4-Chlorobenzoyl-CoA;H2OH2O + 4-Chlorobenzoyl-CoA = 4-Hydroxybenzoyl-CoA + Cl-
+ + + \ No newline at end of file diff --git a/screenshots/PDB_static_preview.png b/screenshots/PDB_static_preview.png new file mode 100644 index 0000000..e98b4cc Binary files /dev/null and b/screenshots/PDB_static_preview.png differ