diff --git a/mite_data/data/bd6ab458-a6b8-11f1-b4b1-cf84655b59e7.json b/mite_data/data/bd6ab458-a6b8-11f1-b4b1-cf84655b59e7.json new file mode 100644 index 00000000..6c8182ef --- /dev/null +++ b/mite_data/data/bd6ab458-a6b8-11f1-b4b1-cf84655b59e7.json @@ -0,0 +1,61 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "NgvE is a homologue of AoiQ-FDH domain and can catalyze dichlorination to produce intermediate demethyldichlorodiaporthin", + "changelog": [ + { + "version": "1", + "date": "2026-09-02", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "NgvE", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1021/jacs.1c02868" + ], + "databaseIds": { + "uniprot": "UPI0009CB5366", + "genpept": "OQE91609.1" + }, + "cofactors": { + "organic": [ + "FAD" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Halogenation" + ], + "description": "NgvE, a homologue of AoiQ-FDH domain catalyzes dichlorination of 1,3-diketone substrate", + "reactionSMARTS": "[#6]-[#6](-[#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]>>[#8]/[#6@:5](-[#6:4](-[Cl])-[Cl])-[#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", + "reactions": [ + { + "substrate": "CC(=O)CC(=O)Cc1cc2cc(O)cc(O)c2c(=O)o1", + "products": [ + "O=c1oc(C[C@H](O)C(Cl)Cl)cc2cc(O)cc(O)c12" + ], + "isIntermediate": false, + "description": "NgvE catalyzes dichlorination of 1,3-diketone substrate. The resulting dichlorinated intermediate undergoes nonenzymatic deacetylation, followed by C10 ketoreduction catalyzed by the SDR enzyme DiaC, or catalyzed by heterologous host endogenous ketoreductases to produce demethyldichlorodiaporthin " + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/jacs.1c02868" + ] + } + } + ] +} \ No newline at end of file