diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..267e35d3 --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,68 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "Catalyzes the conversion of 6-deoxyerythronolide B (6-DEB) to erythronolide B (EB) by the insertion of an oxygen at the 6S position of 6-DEB. ", + "changelog": [ + { + "version": "1", + "date": "2026-07-14", + "contributors": [ + "0000-0003-3002-6458" + ], + "reviewers": [ + "0000-0002-4540-6501" + ], + "comment": "Changed Description" + } + ], + "enzyme": { + "name": "eryF", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/bi00059a004" + ], + "databaseIds": { + "uniprot": "Q5Y9H2", + "genpept": "AAU93799.1", + "mibig": "BGC0000054" + }, + "cofactors": { + "organic": [ + "Heme", + "NADP" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Hydroxylation", + "Monooxygenation" + ], + "description": "Catalyzes the conversion of 6-deoxyerythronolide B (6-DEB) to erythronolide B (EB) by the insertion of an oxygen at the 6S position of 6-DEB. Requires the participation of a ferredoxin and a ferredoxin reductase for the transfer of electrons from NADPH to the P450 monooxygenase", + "reactionSMARTS": "[#6@:1]1(/[#8:23])-[#6@@:14](\\[#6:17])-[#6@@:13](\\[#6:18]-[#6:26])-[#8:12]-[#6:11](=[#8:25])-[#6@:10](/[#6:21])-[#6@@:9](\\[#8:20])-[#6:8]-[#6@@:7](\\[#8:19])-[#6@@:6](\\[#6:16])-[#6:5]-[#6@@:4](\\[#6:15])-[#6:3](=[#8:24])-[#6@@:2]-1/[#6:22]>>[#6@:1]1(/[#8:23])-[#6@@:14](\\[#6:17])-[#6@@:13](\\[#6:18]-[#6:26])-[#8:12]-[#6:11](=[#8:25])-[#6@:10](/[#6:21])-[#6@@:9](\\[#8:20])-[#6:8]-[#6@@:7](\\[#8:19])-[#6@@:6](/[#8])(\\[#6:16])-[#6:5]-[#6@@:4](\\[#6:15])-[#6:3](=[#8:24])-[#6@@:2]-1/[#6:22]", + "reactions": [ + { + "substrate": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O)C[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C", + "products": [ + "CC[C@H]1OC(=O)[C@H](C)[C@@H](O)C[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C" + ], + "isIntermediate": false + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "Knock-out studies" + ], + "references": [ + "doi:10.1021/bi00059a004", + "doi:10.1126/science.2011746" + ] + } + } + ] +} \ No newline at end of file