Skip to content
Open
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
97 changes: 97 additions & 0 deletions mite_data/data/MITE9999999.json
Original file line number Diff line number Diff line change
@@ -0,0 +1,97 @@
{
"accession": "MITE9999999",
"status": "active",
"comment": "Single chlorination of griseophenone C in the griseofulvin pathway yielding griseophenone B.",
"changelog": [
{
"version": "1",
"date": "2026-08-14",
"contributors": [
"0009-0000-8651-1669"
],
"reviewers": [
"0000-0002-4540-6501"
],
"comment": "Edited text"
}
],
"enzyme": {
"name": "gsfI",
"description": "Flavin-dependent halogenase",
"references": [
"doi:10.1021/cb400541z",
"doi:10.1016/j.chembiol.2010.03.015"
],
"databaseIds": {
"uniprot": "D7PI14",
"genpept": "ADI24948.1",
"mibig": "BGC0000070"
},
"cofactors": {
"organic": [
"FAD",
"NADP"
]
}
},
"reactions": [
{
"tailoring": [
"Halogenation"
],
"description": "Single chlorination of griseophenone C yielding griseophenone B.",
"reactionSMARTS": "[#6:1]-[#6:2]1:[#6:7](-[#6:8](-[#6:10]2:[#6:15](-[#8:16]):[#6:14]:[#6:13](-[#8:17]-[#6:18]):[#6:12]:[#6:11]:2-[#8:19])=[#8:9]):[#6:6](-[#8:20]-[#6:21]):[#6:5]:[#6:4](-[#8:22]):[#6:3]:1>>[#6:1]-[#6:2]1:[#6:7](-[#6:8](-[#6:10]2:[#6:11](-[#8:19]):[#6:12](-[Cl]):[#6:13](-[#8:17]-[#6:18]):[#6:14]:[#6:15]:2-[#8:16])=[#8:9]):[#6:6](-[#8:20]-[#6:21]):[#6:5]:[#6:4](-[#8:22]):[#6:3]:1",
"reactions": [
{
"substrate": "COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1",
"products": [
"COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl"
],
"isIntermediate": true,
"description": "Single chlorination of C2 in griseophenone C to yield griseophenone B"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1021/cb400541z",
"doi:10.1016/j.chembiol.2010.03.015"
]
},
"databaseIds": {
"rhea": "73931"
}
},
{
"tailoring": [
"Halogenation"
],
"description": "Dichlorination of griseophenone C yielding griseophenone G. Only occurs in small amounts and only if GsfF was knocked out. Cytochrome P450 GsfF catalyzes the intramolecular coupling reaction of griseophenone B.",
"reactionSMARTS": "[#6:1]-[#6:2]1:[#6:7](-[#6:8](-[#6:10]2:[#6:15](-[#8:16]):[#6:14]:[#6:13](-[#8:17]-[#6:18]):[#6:12]:[#6:11]:2-[#8:19])=[#8:9]):[#6:6](-[#8:20]-[#6:21]):[#6:5]:[#6:4](-[#8:22]):[#6:3]:1>>[#6:1]-[#6:2]1:[#6:7](-[#6:8](-[#6:10]2:[#6:11](-[#8:19]):[#6:12](-[Cl]):[#6:13](-[#8:17]-[#6:18]):[#6:14](-[Cl]):[#6:15]:2-[#8:16])=[#8:9]):[#6:6](-[#8:20]-[#6:21]):[#6:5]:[#6:4](-[#8:22]):[#6:3]:1",
"reactions": [
{
"substrate": "COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1",
"products": [
"COc1cc(O)cc(C)c1C(=O)c1c(O)c(Cl)c(OC)c(Cl)c1O"
],
"isIntermediate": false,
"description": "Dichlorination of C2, C4 in griseophenone C to yield griseophenone G"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1021/cb400541z"
]
}
}
]
}
Loading