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160 changes: 160 additions & 0 deletions mite_data/data/8baef65c-6989-11f1-822f-9b3014917364.json
Original file line number Diff line number Diff line change
@@ -0,0 +1,160 @@
{
"accession": "MITE0000081",
"status": "pending",
"changelog": [
{
"version": "1",
"date": "2024-07-30",
"contributors": [
"0000-0003-4129-2890"
],
"reviewers": [
"0000-0001-6534-6609"
],
"comment": "Initial entry. Reviewer fixed the unsupported nested frequency variation pattern by enumerating the reactions."
},
{
"version": "2",
"date": "2025-08-26",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"0000-0001-6534-6609"
],
"comment": "Homogenized enzyme descriptions"
},
{
"version": "3",
"date": "2026-02-26",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"0000-0001-6534-6609"
],
"comment": "Added reaction description"
},
{
"version": "4",
"date": "2026-06-16",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": ""
}
],
"enzyme": {
"name": "AgqB",
"description": "Alkylresorcinol monooxygenase",
"references": [
"doi:10.1002/cbic.201000628"
],
"databaseIds": {
"uniprot": "I0HIZ0",
"genpept": "BAL92977.1",
"mibig": "BGC0001077"
}
},
"reactions": [
{
"tailoring": [
"Hydroxylation"
],
"description": "Hydroxylation of alkylresorcinol substrate.",
"reactionSMARTS": "[#6:1]-[#6:2](-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]1:[#6:24]:[#6:22](-[#8:23]):[#6:21]:[#6:19](-[#8:20]):[#6:18]:1)-[#6:3]>>[#6:3]-[#6:2](-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]1:[#6:18](-[#8]):[#6:19](-[#8:20]):[#6:21]:[#6:22](-[#8:23]):[#6:24]:1)-[#6:1]",
"reactions": [
{
"substrate": "CC(C)CCCCCCCCCCCCCc1cc(O)cc(O)c1",
"products": [
"CC(C)CCCCCCCCCCCCCc1cc(O)cc(O)c1O"
],
"isIntermediate": true
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression"
],
"references": [
"doi:10.1002/cbic.201000628"
]
}
},
{
"tailoring": [
"Hydroxylation"
],
"description": "Hydroxylation of alkylresorcinol substrate.",
"reactionSMARTS": "[#6:1]-[#6:2](-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]1:[#6:23]:[#6:21](-[#8:22]):[#6:20]:[#6:18](-[#8:19]):[#6:17]:1)-[#6:3]>>[#6:3]-[#6:2](-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]1:[#6:17](-[#8]):[#6:18](-[#8:19]):[#6:20]:[#6:21](-[#8:22]):[#6:23]:1)-[#6:1]",
"reactions": [
{
"substrate": "CC(C)CCCCCCCCCCCCc1cc(O)cc(O)c1",
"products": [
"CC(C)CCCCCCCCCCCCc1cc(O)cc(O)c1O"
],
"isIntermediate": true
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression"
],
"references": [
"doi:10.1002/cbic.201000628"
]
}
},
{
"tailoring": [
"Hydroxylation"
],
"description": "Hydroxylation of alkylresorcinol substrate.",
"reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]1:[#6:24]:[#6:22](-[#8:23]):[#6:21]:[#6:19](-[#8:20]):[#6:18]:1)-[#6:4]>>[#6:1]-[#6:2]-[#6:3](-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]-[#6:17]1:[#6:18](-[#8]):[#6:19](-[#8:20]):[#6:21]:[#6:22](-[#8:23]):[#6:24]:1)-[#6:4]",
"reactions": [
{
"substrate": "CCC(C)CCCCCCCCCCCCc1cc(O)cc(O)c1",
"products": [
"CCC(C)CCCCCCCCCCCCc1cc(O)cc(O)c1O"
],
"isIntermediate": true
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression"
],
"references": [
"doi:10.1002/cbic.201000628"
]
}
},
{
"tailoring": [
"Hydroxylation"
],
"description": "Hydroxylation of alkylresorcinol substrate.",
"reactionSMARTS": "[#6:1]-[#6:2]-[#6:3]-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]1:[#6:23]:[#6:21](-[#8:22]):[#6:20]:[#6:18](-[#8:19]):[#6:17]:1>>[#6:1]-[#6:2]-[#6:3]-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]-[#6:9]-[#6:10]-[#6:11]-[#6:12]-[#6:13]-[#6:14]-[#6:15]-[#6:16]1:[#6:17](-[#8]):[#6:18](-[#8:19]):[#6:20]:[#6:21](-[#8:22]):[#6:23]:1",
"reactions": [
{
"substrate": "CCCCCCCCCCCCCCCc1cc(O)cc(O)c1",
"products": [
"CCCCCCCCCCCCCCCc1cc(O)cc(O)c1O"
],
"isIntermediate": true
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression"
],
"references": [
"doi:10.1002/cbic.201000628"
]
}
}
]
}
13 changes: 12 additions & 1 deletion mite_data/data/MITE0000081.json
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
{
"accession": "MITE0000081",
"status": "active",
"status": "pending",
"changelog": [
{
"version": "1",
Expand Down Expand Up @@ -34,6 +34,17 @@
"0000-0001-6534-6609"
],
"comment": "Added reaction description"
},
{
"version": "4",
"date": "2026-06-16",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": ""
}
],
"enzyme": {
Expand Down
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