From 8ffe15087a55355c9d482790df98f0a1715db1b7 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Fri, 14 Aug 2026 11:04:46 +0200 Subject: [PATCH 1/4] Add submission UUID file --- .../252df45a-97bf-11f1-a881-7d5f8d37e7b5.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json diff --git a/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json new file mode 100644 index 00000000..8c0cf406 --- /dev/null +++ b/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-08-14", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "gsfI", + "databaseIds": { + "uniprot": "D7PI14", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From 60694f794b45d7bf07fecf49ec4d02e1b6597da6 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Fri, 14 Aug 2026 12:09:15 +0200 Subject: [PATCH 2/4] Update submission --- .../252df45a-97bf-11f1-a881-7d5f8d37e7b5.json | 71 ++++++++++++++++--- 1 file changed, 62 insertions(+), 9 deletions(-) diff --git a/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json index 8c0cf406..1c95f71c 100644 --- a/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json +++ b/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "Single chlorination of griseophenone C in the griseofulvin pathway yielding griseophenone B. No specific flavin-reductase was found in the cluster.", "changelog": [ { "version": "1", @@ -16,29 +17,81 @@ ], "enzyme": { "name": "gsfI", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1021/cb400541z", + "doi:10.1016/j.chembiol.2010.03.015" + ], "databaseIds": { "uniprot": "D7PI14", - "genpept": "" + "genpept": "ADI24948.1", + "mibig": "BGC0000070" }, - "references": [ - "doi:" - ] + "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": [], + "evidenceCode": [ + "Heterologous expression", + "In vitro assay", + "Knock-out studies" + ], "references": [ - "doi:" + "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" + ] + } } ] } \ No newline at end of file From 9b3611453006d154ae7a865e89e4b026e914cbdf Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 27 Aug 2026 15:27:38 +0200 Subject: [PATCH 3/4] Delete mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json --- .../252df45a-97bf-11f1-a881-7d5f8d37e7b5.json | 97 ------------------- 1 file changed, 97 deletions(-) delete mode 100644 mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json diff --git a/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json deleted file mode 100644 index 1c95f71c..00000000 --- a/mite_data/data/252df45a-97bf-11f1-a881-7d5f8d37e7b5.json +++ /dev/null @@ -1,97 +0,0 @@ -{ - "accession": "MITE9999999", - "status": "pending", - "comment": "Single chlorination of griseophenone C in the griseofulvin pathway yielding griseophenone B. No specific flavin-reductase was found in the cluster.", - "changelog": [ - { - "version": "1", - "date": "2026-08-14", - "contributors": [ - "0009-0000-8651-1669" - ], - "reviewers": [ - "BBBBBBBBBBBBBBBBBBBBBBBB" - ], - "comment": "New entry." - } - ], - "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. 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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" + ] + } + } + ] +} \ No newline at end of file