From dab8f9244c015bd1a5698b5eb0ee3212e3eabcbf Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 15 Apr 2026 11:30:26 +0200 Subject: [PATCH 1/2] Add submission UUID file --- .../5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json diff --git a/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json b/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json new file mode 100644 index 00000000..65db41c1 --- /dev/null +++ b/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-04-15", + "contributors": [ + "0000-0003-2971-646X" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "RSAD2", + "databaseIds": { + "uniprot": "Q8WXG1", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From 430eafe79d6ea5702c20a474a24f802547b72234 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 15 Apr 2026 11:50:37 +0200 Subject: [PATCH 2/2] Update submission --- .../5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json | 49 +++++++++++++------ 1 file changed, 35 insertions(+), 14 deletions(-) diff --git a/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json b/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json index 65db41c1..31701890 100644 --- a/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json +++ b/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "Radical SAM catalyzes formal dehydration of CTP to afford anti-viral ddhCTP", "changelog": [ { "version": "1", @@ -16,29 +17,49 @@ ], "enzyme": { "name": "RSAD2", + "description": "Radical S-adenosyl methionine", + "references": [ + "doi:10.1038/s41586-018-0238-4" + ], "databaseIds": { - "uniprot": "Q8WXG1", - "genpept": "" + "uniprot": "O70600", + "genpept": "CAA68971.1" }, - "references": [ - "doi:" - ] + "cofactors": { + "organic": [ + "SAM" + ], + "inorganic": [ + "FeS" + ] + } }, "reactions": [ { - "evidence": { - "evidenceCode": [], - "references": [ - "doi:" - ] - }, + "tailoring": [ + "Dehydration" + ], + "description": "Formal dehydration of CTP to afford anti-viral ddhCTP", + "reactionSMARTS": "[#6:1]1:[#6:7](-[#7:8]):[#7:6]:[#6:4](=[#8:5]):[#7:3](/[#6@@:9]2-[#8:13]-[#6@:12](/[#6:14]-[#8:15]-[#15@@:16](-[#8:19]-[#15@@:20](-[#8:23]-[#15:24](-[#8:27])(-[#8:26])=[#8:25])(\\[#8:22])=[#8:21])(\\[#8:18])=[#8:17])-[#6@@:11](\\[#8])-[#6@:10]-2\\[#8:29]):[#6:2]:1>>[#6:1]1:[#6:7](-[#7:8]):[#7:6]:[#6:4](=[#8:5]):[#7:3](/[#6@@:9]2-[#8:13]-[#6:12](-[#6:14]-[#8:15]-[#15@@:16](-[#8:19]-[#15@@:20](-[#8:23]-[#15:24](-[#8:27])(-[#8:26])=[#8:25])(\\[#8:22])=[#8:21])(\\[#8:18])=[#8:17])=[#6:11]-[#6@:10]-2\\[#8:29]):[#6:2]:1", "reactions": [ { + "substrate": "Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1", "products": [ - "" - ] + "Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)=CC2O)c(=O)n1" + ], + "isIntermediate": true } - ] + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "Inference from genomic data and chemical structure", + "In vitro assay" + ], + "references": [ + "doi:10.1038/s41586-018-0238-4" + ] + } } ] } \ No newline at end of file