diff --git a/mite_data/data/112c1bd6-5b50-11f1-84ff-7f3b809f9333.json b/mite_data/data/112c1bd6-5b50-11f1-84ff-7f3b809f9333.json new file mode 100644 index 00000000..3cf26712 --- /dev/null +++ b/mite_data/data/112c1bd6-5b50-11f1-84ff-7f3b809f9333.json @@ -0,0 +1,56 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "Catalyzes prenylation of nanangelenin B to produce nanangelenin C.", + "changelog": [ + { + "version": "1", + "date": "2026-05-29", + "contributors": [ + "0000-0001-9260-4650" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "NanD", + "description": "Prenyltransferase", + "references": [ + "doi:10.1021/jacs.0c01605" + ], + "databaseIds": { + "uniprot": "A0A6G9KJL7", + "genpept": "QIQ51364.1" + } + }, + "reactions": [ + { + "tailoring": [ + "Prenylation" + ], + "description": "Prenylation of nanangelenin B to produce nanangelenin C.", + "reactionSMARTS": "[#6:1]12:[#6:23]:[#6:22]:[#6:21]:[#6:20]:[#6:19]:1-[#6:17](=[#8:18])-[#6:16]-[#6@:5](-[#7:6]-[#6:7](-[#6:9]1:[#6:14](-[#7:15]):[#6:13]:[#6:12]:[#6:11]:[#6:10]:1)=[#8:8])-[#6:3](=[#8:4])-[#7:2]-2>>[#6:1]12:[#6:23]:[#6:22]:[#6:21]:[#6:20]:[#6:19]:1-[#6:17](=[#8:18])-[#6:16]-[#6@:5](-[#7:6]-[#6:7](-[#6:9]1:[#6:14](-[#7:15]-[#6](-[#6])(-[#6]=[#6])-[#6]):[#6:13]:[#6:12]:[#6:11]:[#6:10]:1)=[#8:8])-[#6:3](=[#8:4])-[#7:2]-2", + "reactions": [ + { + "substrate": "Nc1ccccc1C(=O)N[C@H]1CC(=O)c2ccccc2NC1=O", + "products": [ + "C=CC(C)(C)Nc1ccccc1C(=O)N[C@H]1CC(=O)c2ccccc2NC1=O" + ], + "isIntermediate": true, + "description": "Prenylation of nanangelenin B to produce nanangelenin C." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/jacs.0c01605" + ] + } + } + ] +} \ No newline at end of file