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Contributor submission TamI #176

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161 changes: 161 additions & 0 deletions mite_data/data/f7ced522-e6fe-11f0-a1a9-8218ec668ab3.json
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{
"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"
]
}
}
]
}