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54 changes: 46 additions & 8 deletions mite_data/data/MITE0000120.json
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@
{
"accession": "MITE0000120",
"status": "active",
"comment": "\u03b1KG dependent enzyme that catalyzes oxidative ring contraction in the zopfiellin biosynthetic pathway. ",
"changelog": [
{
"version": "1",
Expand All @@ -24,26 +25,57 @@
"0000-0001-6534-6609"
],
"comment": "Fixed enzyme name to be more computer readable."
},
{
"version": "3",
"date": "2026-04-13",
"contributors": [
"0000-0002-3677-2972"
],
"reviewers": [
"0000-0003-4819-2251"
],
"comment": "Added additional reference and evidence qualifier (heterologous expression)."
}
],
"enzyme": {
"name": "ZopL9/ZopK",
"description": "AsaB-like alphaKGDD",
"description": "Alpha-ketoglutarate dependent dioxygenase",
"references": [
"doi:10.1039/d0sc04309e"
"doi:10.1039/d0sc04309e",
"doi:10.1039/d5ra02147b",
"doi:10.1021/acs.orglett.0c00340"
],
"auxiliaryEnzymes": [
{
"name": "ZopL2/ZopQ",
"description": "Isochorismatase-like enzyme",
"databaseIds": {
"uniprot": "A0A7R6QM07",
"genpept": "QTE75990.1"
}
}
],
"databaseIds": {
"uniprot": "A0A7R6QUG3",
"genpept": "QTE75983.1",
"mibig": "BGC0002224"
},
"cofactors": {
"organic": [
"a-Ketoglutaric acid"
],
"inorganic": [
"Fe"
]
}
},
"reactions": [
{
"tailoring": [
"Ring contraction"
],
"description": "Catalyzes a ring contraction of the nine-membered central ring to yield a octadride ring",
"description": "Catalyzes ring contraction of a nine-membered ring to an eight-membered ring.",
"reactionSMARTS": "[#6:1]-[#6:2]-[#6:3]-[#6:4]-[#6:5]\\[#6@:6]1-[#6:24]2-[#6:25](-[#8:27]-[#6:28](=[#8:29])-[#6:23]=2-[#6:22]-[#6@@:17](\\[#6:18]-[#6:19]-[#6:20]-[#6:21])-[#6@@](\\[#8])-[#6:9]2-[#6:10](-[#8:12]-[#6:13](=[#8:14])-[#6:8]=2-[#6:7]-1)=[#8:11])=[#8:26]>>[#6:1]-[#6:2]-[#6:3]-[#6:4]-[#6:5]\\[#6@:6]1-[#6:24]2-[#6:25](-[#8:27]-[#6:28](=[#8:29])-[#6:23]=2-[#6:22]-[#6@@:17](\\[#6:18]-[#6:19]-[#6:20]-[#6:21])-[#6:9]2-[#6:10](-[#8:12]-[#6:13](=[#8:14])-[#6:8]=2-[#6:7]-1)=[#8:11])=[#8:26]",
"reactions": [
{
Expand All @@ -52,7 +84,7 @@
"CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@H](CCCC)CC2=C1C(=O)OC2=O"
],
"isIntermediate": true,
"description": "Converts 5-hydroxy-deoxyscytalidin to deoxyzopfiellin"
"description": "Ring contraction of 5-hydroxy-deoxyscytalidin to deoxyzopfiellin"
}
],
"evidence": {
Expand All @@ -61,7 +93,9 @@
"Knock-out studies"
],
"references": [
"doi:10.1039/d0sc04309e"
"doi:10.1039/d0sc04309e",
"doi:10.1039/d5ra02147b",
"doi:10.1021/acs.orglett.0c00340"
]
}
},
Expand All @@ -78,17 +112,21 @@
"CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@H](CCCC)CC2=C1C(=O)OC2=O"
],
"isIntermediate": true,
"description": "Converts deoxyscytalidin to 5-hydroxy-deoxyscytalidin"
"description": "Hydroxylation of deoxyscytalidin (C5) to 5-hydroxy-deoxyscytalidin"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1039/d0sc04309e"
"doi:10.1039/d0sc04309e",
"doi:10.1039/d5ra02147b",
"doi:10.1021/acs.orglett.0c00340"
]
}
}
]
}
}
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