diff --git a/mite_data/data/11b4f584-e70e-11f0-a1a9-8218ec668ab3.json b/mite_data/data/11b4f584-e70e-11f0-a1a9-8218ec668ab3.json new file mode 100644 index 0000000..eba63b0 --- /dev/null +++ b/mite_data/data/11b4f584-e70e-11f0-a1a9-8218ec668ab3.json @@ -0,0 +1,66 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "To date, there is no hard experimental proof for the tryptophan-hydroxylation by NotG.", + "changelog": [ + { + "version": "1", + "date": "2026-01-01", + "contributors": [ + "AAAAAAAAAAAAAAAAAAAAAAAA" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "NotG", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/ja1049302", + "doi:10.1039/C2MD20029E" + ], + "databaseIds": { + "uniprot": "E1ACQ2", + "genpept": "ADM34140.1", + "mibig": "BGC0001084" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Hydroxylation" + ], + "description": "Hydroxylation of deoxybrevianamide E in notoamide biosynthetic pathway.", + "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):[n&H1:12]:[#6:11]:3-[#6:22](-[#6:25])(-[#6:24])-[#6:23]=[#6:26])-[#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](-[#8]):[#6:16]:[#6:17]:4):[n&H1:12]:[#6:11]:3-[#6:22](-[#6:25])(-[#6:24])-[#6:23]=[#6:26])-[#6:6](=[#8:7])-[#7:5]-1-[#6:4]-[#6:3]-[#6:2]/2", + "reactions": [ + { + "substrate": "C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O", + "products": [ + "C=CC(C)(C)c1[nH]c2cc(O)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O" + ], + "isIntermediate": true, + "description": "Hydroxylation of deoxybrevianamide E to 6-OH deoxybrevianamide E." + } + ], + "evidence": { + "evidenceCode": [ + "Inference from genomic data and chemical structure" + ], + "references": [ + "doi:10.1021/ja1049302" + ] + } + } + ] +} \ No newline at end of file