diff --git a/mite_data/data/e97c9dfa-7f70-11f1-9115-dd113f401ed3.json b/mite_data/data/e97c9dfa-7f70-11f1-9115-dd113f401ed3.json new file mode 100644 index 00000000..a105febd --- /dev/null +++ b/mite_data/data/e97c9dfa-7f70-11f1-9115-dd113f401ed3.json @@ -0,0 +1,64 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-07-14", + "contributors": [ + "0000-0003-3002-6458" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "RosD", + "description": "Cytochrome P450", + "references": [ + "doi:10.1128/AAC.02092-12" + ], + "databaseIds": { + "uniprot": "A0A7H8XGL8", + "genpept": "QLD23834.1", + "mibig": "BGC0002086" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Other" + ], + "description": "Epoxidation", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6@:3]1\\[#8:22]-[#6:21](=[#8:25])-[#6:20]-[#6@@:18](\\[#8:23])-[#6@:17](\\[#6:19])-[#6@@:16](\\[#8:24]-[#6:29]2-[#8:35]-[#6:33](-[#6:34])-[#6:32]-[#6:31](-[#7:36](-[#6:38])-[#6:37])-[#6:30]-2-[#8:39])-[#6@@:12](\\[#6:14]-[#6:15])-[#6:11]-[#6@@:10](\\[#6:13])-[#6:9](=[#8:26])-[#6:8]=[#6:7]-[#6:6](-[#6:28])=[#6:5]-[#6@@:4]-1/[#6:27]>>[#6:1]-[#6:2]-[#6@:3]1\\[#8:22]-[#6:21](=[#8:25])-[#6:20]-[#6@@:18](\\[#8:23])-[#6@:17](\\[#6:19])-[#6@@:16](\\[#8:24]-[#6:29]2-[#8:35]-[#6:33](-[#6:34])-[#6:32]-[#6:31](-[#7:36](-[#6:38])-[#6:37])-[#6:30]-2-[#8:39])-[#6@@:12](\\[#6:14]-[#6:15])-[#6:11]-[#6@@:10](\\[#6:13])-[#6:9](=[#8:26])-[#6:8]=[#6:7]-[#6@:6]2(\\[#6:28])/[#8]/[#6@:27]-2-[#6@@:4]-1/[#6:5]", + "reactions": [ + { + "substrate": "CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1OC1OC(C)CC(N(C)C)C1O", + "products": [ + "CC[C@H]1C[C@@H](C)C(=O)C=C[C@]2(C)O[C@H]2[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1OC1OC(C)CC(N(C)C)C1O" + ], + "isIntermediate": true + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "Knock-out studies" + ], + "references": [ + "doi:10.1128/AAC.02092-12" + ] + } + } + ] +} \ No newline at end of file