diff --git a/mite_data/data/38057aee-e70c-11f0-a1a9-8218ec668ab3.json b/mite_data/data/38057aee-e70c-11f0-a1a9-8218ec668ab3.json new file mode 100644 index 0000000..5c77102 --- /dev/null +++ b/mite_data/data/38057aee-e70c-11f0-a1a9-8218ec668ab3.json @@ -0,0 +1,62 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-01-01", + "contributors": [ + "AAAAAAAAAAAAAAAAAAAAAAAA" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "NotF", + "description": "Deoxybrevianamide E synthase", + "references": [ + "doi:10.1021/ja1049302" + ], + "databaseIds": { + "uniprot": "E0Y3X1", + "genpept": "ADM34139.1", + "mibig": "BGC0001084" + } + }, + "reactions": [ + { + "tailoring": [ + "Prenylation" + ], + "description": "Reverse prenylation of brevianamide F in the notoamid pathway, with high substrate specificity (no products for other diketopiperazides).", + "reactionSMARTS": "[#6@:1]12-[#6:20](=[#8:21])-[#7:19]-[#6@@:8](/[#6:9]-[#6:10]3:[#6:18]4:[#6:13](:[#6:14]:[#6:15]:[#6:16]:[#6:17]:4):[#7:12]:[#6:11]:3)-[#6:6](=[#8:7])-[#7:5]-1-[#6:4]-[#6:3]-[#6:2]/2>>[#6@:1]12-[#6:20](=[#8:21])-[#7:19]-[#6@@:8](/[#6:9]-[#6:10]3:[#6:18]4:[#6:13](:[#6:14]:[#6:15]:[#6:16]:[#6:17]:4):[#7:12]:[#6:11]:3-[#6](-[#6])(-[#6])-[#6]=[#6])-[#6:6](=[#8:7])-[#7:5]-1-[#6:4]-[#6:3]-[#6:2]/2", + "reactions": [ + { + "substrate": "O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12", + "products": [ + "C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O" + ], + "isIntermediate": true, + "description": "Prenylation of diketopiperazide brevianamide F, leading to deoxybrevianamide E." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay", + "Site-directed mutagenesis" + ], + "references": [ + "doi:10.1021/ja1049302" + ] + }, + "databaseIds": { + "rhea": "35943", + "ec": "2.5.1.109" + } + } + ] +} \ No newline at end of file