diff --git a/mite_data/data/47eb0b2a-5167-11f1-9ef6-bb4e59819b6d.json b/mite_data/data/47eb0b2a-5167-11f1-9ef6-bb4e59819b6d.json new file mode 100644 index 00000000..08942c9a --- /dev/null +++ b/mite_data/data/47eb0b2a-5167-11f1-9ef6-bb4e59819b6d.json @@ -0,0 +1,56 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-05-16", + "contributors": [ + "0000-0002-0771-9611" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "AscJ", + "description": "Short-chain dehydrogenase/reductase", + "references": [ + "doi:10.1073/pnas.1819254116" + ], + "databaseIds": { + "uniprot": "A0A455R5K2", + "genpept": "BBF25320.1", + "mibig": "BGC0001924" + } + }, + "reactions": [ + { + "tailoring": [ + "Oxidation" + ], + "description": "Converts Ascofuranol to Ascofuranone.", + "reactionSMARTS": "[#6]-[#6](-[#6]-[#6]-[#6]=[#6](-[#6]1-[#8]-[#6](-[#6])(-[#6])-[#6@@](/[#8])-[#6]-1)-[#6])=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8;-]>>[#6]1(-[#8;-]):[#6](-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6]2-[#8]-[#6](-[#6])(-[#6])-[#6](=[#8])-[#6]-2)-[#6]):[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6]:1-[Cl]", + "reactions": [ + { + "substrate": "CC(=CCc1c([O-])c(Cl)c(C)c(C=O)c1O)CCC=C(C)C1C[C@H](O)C(C)(C)O1", + "products": [ + "CC(=CCc1c([O-])c(Cl)c(C)c(C=O)c1O)CCC=C(C)C1CC(=O)C(C)(C)O1" + ], + "isIntermediate": true + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + } + } + ] +} \ No newline at end of file