From 094e65a8553a82e34b5440ec3884db4400f7138b Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 27 Aug 2026 12:54:50 +0200 Subject: [PATCH 1/4] Add submission UUID file --- .../92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json diff --git a/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json new file mode 100644 index 00000000..76e8f32b --- /dev/null +++ b/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-08-27", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "ArmH4", + "databaseIds": { + "uniprot": "A0A0U3AL34", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From 93aab618fe59f0799d9eaded00246c22ce58c937 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 27 Aug 2026 13:09:29 +0200 Subject: [PATCH 2/4] Update submission --- .../92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json | 66 ++++++++++++++++--- 1 file changed, 57 insertions(+), 9 deletions(-) diff --git a/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json index 76e8f32b..80a19f37 100644 --- a/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json +++ b/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "Melleolide halogenation in Armillaria mellea. Putative MiBiG entry has been retired (BGC0001401).", "changelog": [ { "version": "1", @@ -16,29 +17,76 @@ ], "enzyme": { "name": "ArmH4", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1128/AEM.03168-15" + ], "databaseIds": { "uniprot": "A0A0U3AL34", - "genpept": "" + "genpept": "ALT31851.1" }, - "references": [ - "doi:" - ] + "cofactors": { + "organic": [ + "FAD", + "NAD" + ] + } }, "reactions": [ { + "tailoring": [ + "Halogenation" + ], + "description": "Single chlorination of melleolide F as a representative scaffold for various melleloides.", + "reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-[Cl]):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1", + "reactions": [ + { + "substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O", + "products": [ + "Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O" + ], + "isIntermediate": false, + "description": "Chlorinating melleolide F to 6'-chloromelleolide F" + } + ], "evidence": { - "evidenceCode": [], + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], "references": [ - "doi:" + "doi:10.1128/AEM.03168-15" ] }, + "databaseIds": { + "rhea": "67160" + } + }, + { + "tailoring": [ + "Halogenation" + ], + "description": "Single bromination of melleolide F as a representative scaffold for various melleloides.", + "reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-Br):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1", "reactions": [ { + "substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O", "products": [ - "" - ] + "Cc1c(Br)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O" + ], + "isIntermediate": false, + "description": "Brominating melleolide F to 6'-bromomelleolide F" } - ] + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1128/AEM.03168-15" + ] + } } ] } \ No newline at end of file From 185f0bc82b5a80500552a8b30f1077cfc7d9c36d Mon Sep 17 00:00:00 2001 From: mite-bot Date: Fri, 11 Sep 2026 21:23:29 +0200 Subject: [PATCH 3/4] Delete mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json --- .../92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json | 92 ------------------- 1 file changed, 92 deletions(-) delete mode 100644 mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json diff --git a/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json deleted file mode 100644 index 80a19f37..00000000 --- a/mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json +++ /dev/null @@ -1,92 +0,0 @@ -{ - "accession": "MITE9999999", - "status": "pending", - "comment": "Melleolide halogenation in Armillaria mellea. Putative MiBiG entry has been retired (BGC0001401).", - "changelog": [ - { - "version": "1", - "date": "2026-08-27", - "contributors": [ - "0009-0000-8651-1669" - ], - "reviewers": [ - "BBBBBBBBBBBBBBBBBBBBBBBB" - ], - "comment": "New entry." - } - ], - "enzyme": { - "name": "ArmH4", - "description": "Flavin-dependent halogenase", - "references": [ - "doi:10.1128/AEM.03168-15" - ], - "databaseIds": { - "uniprot": "A0A0U3AL34", - "genpept": "ALT31851.1" - }, - "cofactors": { - "organic": [ - "FAD", - "NAD" - ] - } - }, - "reactions": [ - { - "tailoring": [ - "Halogenation" - ], - "description": "Single chlorination of melleolide F as a representative scaffold for various melleloides.", - "reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-[Cl]):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1", - "reactions": [ - { - "substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O", - "products": [ - "Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O" - ], - "isIntermediate": false, - "description": "Chlorinating melleolide F to 6'-chloromelleolide F" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression", - "In vitro assay" - ], - "references": [ - "doi:10.1128/AEM.03168-15" - ] - }, - "databaseIds": { - "rhea": "67160" - } - }, - { - "tailoring": [ - "Halogenation" - ], - "description": "Single bromination of melleolide F as a representative scaffold for various melleloides.", - "reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-Br):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1", - "reactions": [ - { - "substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O", - "products": [ - "Cc1c(Br)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O" - ], - "isIntermediate": false, - "description": "Brominating melleolide F to 6'-bromomelleolide F" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression", - "In vitro assay" - ], - "references": [ - "doi:10.1128/AEM.03168-15" - ] - } - } - ] -} \ No newline at end of file From aa744bd0b1eeb58a95816e9151d7d88660415730 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Fri, 11 Sep 2026 21:23:31 +0200 Subject: [PATCH 4/4] Add submission --- mite_data/data/MITE9999999.json | 92 +++++++++++++++++++++++++++++++++ 1 file changed, 92 insertions(+) create mode 100644 mite_data/data/MITE9999999.json diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..c5ff0c75 --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,92 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "Melleolide halogenation in Armillaria mellea. Putative MiBiG entry has been retired (BGC0001401). Same reaction as ArmH1, ArmH2, ArmH3, ArmH5.", + "changelog": [ + { + "version": "1", + "date": "2026-08-27", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "0009-0008-6482-7206" + ], + "comment": "New entry. Added to comment about same reactions of enzymes in phylogentic gene cluster." + } + ], + "enzyme": { + "name": "ArmH4", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1128/AEM.03168-15" + ], + "databaseIds": { + "uniprot": "A0A0U3AL34", + "genpept": "ALT31851.1" + }, + "cofactors": { + "organic": [ + "FAD", + "NAD" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Halogenation" + ], + "description": "Single chlorination of melleolide F as a representative scaffold for various melleloides.", + "reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-[Cl]):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1", + "reactions": [ + { + "substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O", + "products": [ + "Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O" + ], + "isIntermediate": false, + "description": "Chlorinating melleolide F to 6'-chloromelleolide F" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1128/AEM.03168-15" + ] + }, + "databaseIds": { + "rhea": "67160" + } + }, + { + "tailoring": [ + "Halogenation" + ], + "description": "Single bromination of melleolide F as a representative scaffold for various melleloides.", + "reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-Br):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1", + "reactions": [ + { + "substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O", + "products": [ + "Cc1c(Br)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O" + ], + "isIntermediate": false, + "description": "Brominating melleolide F to 6'-bromomelleolide F" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1128/AEM.03168-15" + ] + } + } + ] +} \ No newline at end of file