From c268f6cb4766855484aeeea7d162312cc56e9b79 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 1 Jan 2026 11:32:06 +0000 Subject: [PATCH] Contributor submission TamI --- .../f7ced522-e6fe-11f0-a1a9-8218ec668ab3.json | 161 ++++++++++++++++++ 1 file changed, 161 insertions(+) create mode 100644 mite_data/data/f7ced522-e6fe-11f0-a1a9-8218ec668ab3.json diff --git a/mite_data/data/f7ced522-e6fe-11f0-a1a9-8218ec668ab3.json b/mite_data/data/f7ced522-e6fe-11f0-a1a9-8218ec668ab3.json new file mode 100644 index 0000000..35369f8 --- /dev/null +++ b/mite_data/data/f7ced522-e6fe-11f0-a1a9-8218ec668ab3.json @@ -0,0 +1,161 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "Works in tandem with TamL in tirandamycin biosynthesis in a oxygenation-oxidation-oxygenation cascade. However, TamI can also produce mature tirandamycin C, albeit in an less effective fashion. ", + "changelog": [ + { + "version": "1", + "date": "2026-01-01", + "contributors": [ + "AAAAAAAAAAAAAAAAAAAAAAAA" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "TamI", + "description": "Cytochrome P450", + "references": [ + "doi:10.1002/cbic.200900658", + "doi:10.1038/nchem.1087", + "doi:10.1021/np9005597" + ], + "auxiliaryEnzymes": [ + { + "name": "TamL", + "description": "Flavoprotein monooxygenase", + "databaseIds": { + "uniprot": "D3Y1I2", + "genpept": "ADC79636.1" + } + } + ], + "databaseIds": { + "uniprot": "D3Y1J3", + "genpept": "ADC79647.1", + "mibig": "BGC0001052" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Hydroxylation" + ], + "description": "Hydroxylation of tirandamycin C as first tailoring step in the tirandamycin pathway. TamI oxygenation requires a specific sequence of oxygenations, showing high substrate specificity.", + "reactionSMARTS": "[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8]-[#6:6]=[#6:5]-2-[#6:7])-[#6:12])-[#6:4]>>[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8](-[#8])-[#6:6]=[#6:5]-2-[#6:7])-[#6:12])-[#6:4]", + "reactions": [ + { + "substrate": "CC1=CCC2OC1(C)OC(C(C)/C=C(C)/C=C/C(O)=C1/C(=O)CNC1=O)C2C", + "products": [ + "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(O)C=C2C)C1C" + ], + "isIntermediate": true, + "description": "Hydroxylation of tirandamycin C to tirandamycin E." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay", + "Knock-out studies", + "Site-directed mutagenesis" + ], + "references": [ + "doi:10.1038/nchem.1087" + ] + } + }, + { + "tailoring": [ + "Hydroxylation" + ], + "description": "Hydroxylation of tirandamycin E as second tailoring step in the tirandamycin pathway, via the TamL-independent route with spontaneous dehydration.", + "reactionSMARTS": "[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8](-[#8])-[#6:6]=[#6:5]-2-[#6:7])-[#6:12])-[#6:4]>>[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8](=[#8])-[#6:6]=[#6:5]-2-[#6:7])-[#6:12])-[#6:4]", + "reactions": [ + { + "substrate": "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(O)C=C2C)C1C", + "products": [ + "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C=C2C)C1C" + ], + "isIntermediate": true, + "description": "Hydroxylation of tirandamycin E to tirandamycin D." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1038/nchem.1087" + ] + } + }, + { + "tailoring": [ + "Other" + ], + "description": "Epoxidation of tirandamycin D as third tailoring step in the tirandamycin pathway.", + "reactionSMARTS": "[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8](=[#8:50])-[#6:6]=[#6:5]-2-[#6:7])-[#6:12])-[#6:4]>>[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8](=[#8:50])-[#6:6]1-[#8]-[#6:5]-2-1-[#6:7])-[#6:12])-[#6:4]", + "reactions": [ + { + "substrate": "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C=C2C)C1C", + "products": [ + "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C3OC32C)C1C" + ], + "isIntermediate": true, + "description": "Epoxidation of tirandamycin D to tirandamycin A." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1038/nchem.1087" + ] + } + }, + { + "tailoring": [ + "Hydroxylation" + ], + "description": "Hydroxylation of tirandamycin A as forth tailoring step in the tirandamycin pathway.", + "reactionSMARTS": "[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8](=[#8:50])-[#6:6]1-[#8:51]-[#6:5]-2-1-[#6:7])-[#6:12])-[#6:4]>>[#8:1]1-[#6:3]2(-[#8:9]-[#6:10](-[#6:13](-[#6:15]=[#6:16](-[#6:18])-[#6:17]=[#6:19]-[#6:20](=[#6:22]3-[#6:27](=[#8:28])-[#7:26]-[#6:25]-[#6:23]-3=[#8:24])-[#8:21])-[#6:14])-[#6:11](-[#6:2]-1-[#6:8](=[#8:50])-[#6:6]1-[#8:51]-[#6:5]-2-1-[#6:7]-[#8])-[#6:12])-[#6:4]", + "reactions": [ + { + "substrate": "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C3OC32C)C1C", + "products": [ + "CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C3OC32CO)C1C" + ], + "isIntermediate": false, + "description": "Hydroxylation of tirandamycin A to the mature tirandamycin B." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1038/nchem.1087" + ] + } + } + ] +} \ No newline at end of file