diff --git a/mite_data/data/5e80fba6-a473-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/5e80fba6-a473-11f1-a881-7d5f8d37e7b5.json new file mode 100644 index 00000000..b836fa64 --- /dev/null +++ b/mite_data/data/5e80fba6-a473-11f1-a881-7d5f8d37e7b5.json @@ -0,0 +1,90 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "DiaC is an SDR family ketoreductase. ", + "changelog": [ + { + "version": "1", + "date": "2026-08-30", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "DiaC", + "description": "short-chain dehydrogenase/reductase (SDR)", + "references": [ + "doi:10.1021/jacs.1c02868" + ], + "databaseIds": { + "uniprot": "UPI00006779B5", + "genpept": "BAE62225.1", + "mibig": "BGC0002237" + }, + "cofactors": { + "organic": [ + "NADP" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Hydroxylation", + "Reduction" + ], + "description": "DiaC performs C10 ketoreduction in the biosynthesis of dichlorodiaporthin", + "reactionSMARTS": "[#6:1]-[#6:2](-[#6:4]-[#6:5](-[#6:7]-[#6:8]1:[#8:20]:[#6:18](=[#8:19]):[#6:17]2:[#6:10](:[#6:11]:[#6:12](:[#6:14]:[#6:15]:2-[#8:16])-[#8:13]):[#6:9]:1)=[#8])=[#8:3]>>[#6:1]-[#6:2](-[#6:4]-[#6@@:5](-[#6:7]-[#6:8]1:[#8:20]:[#6:18](=[#8:19]):[#6:17]2:[#6:10](:[#6:11]:[#6:12](:[#6:14]:[#6:15]:2-[#8:16])-[#8:13]):[#6:9]:1)/[#8:3])=[#8:3]", + "reactions": [ + { + "substrate": "CC(=O)CC(=O)Cc1cc2cc(O)cc(O)c2c(=O)o1", + "products": [ + "CC(=O)C[C@H](O)Cc1cc2cc(O)cc(O)c2c(=O)o1" + ], + "isIntermediate": true, + "description": "DiaC is particularly efficient toward the deacetylated chlorinated intermediate of dichlorodiaporthin." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1021/jacs.1c02868" + ] + } + }, + { + "tailoring": [ + "Hydroxylation", + "Reduction" + ], + "description": "DiaC performs C10 ketoreduction of the deacetylated chlorinated intermediate in the dichlorodiaporthin biosynthesis.", + "reactionSMARTS": "[#8:1]-[#6:2]1:[#6:7]:[#6:6]2:[#6:8]:[#6:9](-[#6:13]-[#6:14](=[#8])-[#6:15](-[Cl:19])-[Cl:18]):[#8:10]:[#6:11](=[#8:12]):[#6:5]:2:[#6:4](-[#8:17]):[#6:3]:1>>[#8:1]-[#6:2]1:[#6:7]:[#6:6]2:[#6:8]:[#6:9](-[#6:13]-[#6@@:14](/[#8:1])-[#6:15](-[Cl:19])-[Cl:18]):[#8:10]:[#6:11](=[#8:12]):[#6:5]:2:[#6:4](-[#8:17]):[#6:3]:1", + "reactions": [ + { + "substrate": "O=C(Cc1cc2cc(O)cc(O)c2c(=O)o1)C(Cl)Cl", + "products": [ + "O=c1oc(C[C@@H](O)C(Cl)Cl)cc2cc(O)cc(O)c12" + ], + "isIntermediate": true + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1021/jacs.1c02868" + ] + } + } + ] +} \ No newline at end of file