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..31701890 --- /dev/null +++ b/mite_data/data/5af77cd4-38a9-11f1-8f25-9b0d34c97d5b.json @@ -0,0 +1,65 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "Radical SAM catalyzes formal dehydration of CTP to afford anti-viral ddhCTP", + "changelog": [ + { + "version": "1", + "date": "2026-04-15", + "contributors": [ + "0000-0003-2971-646X" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "RSAD2", + "description": "Radical S-adenosyl methionine", + "references": [ + "doi:10.1038/s41586-018-0238-4" + ], + "databaseIds": { + "uniprot": "O70600", + "genpept": "CAA68971.1" + }, + "cofactors": { + "organic": [ + "SAM" + ], + "inorganic": [ + "FeS" + ] + } + }, + "reactions": [ + { + "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