From 0e6d5a6753953fbf2c30bd8b2974102afc1b86c7 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 10 Jun 2026 14:59:15 +0200 Subject: [PATCH 1/4] Add submission UUID file --- .../f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json diff --git a/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json b/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json new file mode 100644 index 00000000..bea72eff --- /dev/null +++ b/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-06-10", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "HctB", + "databaseIds": { + "uniprot": "Q1EDB4", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From a14e2edcb3388f3de3822e74dc8a19ead03fe4ae Mon Sep 17 00:00:00 2001 From: mite-bot Date: Fri, 12 Jun 2026 11:38:16 +0200 Subject: [PATCH 2/4] Update submission --- .../f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json | 96 +++++++++++++++++-- 1 file changed, 86 insertions(+), 10 deletions(-) diff --git a/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json b/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json index bea72eff..3407ee28 100644 --- a/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json +++ b/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "hectochlorin biosynthetic pathway of lyngbya majuscula.", "changelog": [ { "version": "1", @@ -16,29 +17,104 @@ ], "enzyme": { "name": "HctB", + "description": "fatty acyl halogenase", + "references": [ + "doi:10.1002/cbic.201300345" + ], "databaseIds": { "uniprot": "Q1EDB4", - "genpept": "" + "genpept": "AAY42394.1", + "mibig": "BGC0001000" }, - "references": [ - "doi:" - ] + "cofactors": { + "organic": [ + "a-Ketoglutaric acid" + ], + "inorganic": [ + "Fe" + ] + } }, "reactions": [ { + "tailoring": [ + "Halogenation" + ], + "description": "Bicyclic halogenation through C5 radical intermediate product", + "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7](-[Cl])(-[Cl])-[#6:8]", + "reactions": [ + { + "substrate": "*SC(=O)CCCCC", + "products": [ + "*SC(=O)CCCC(C)(Cl)Cl" + ], + "isIntermediate": true, + "description": "C5 Dichlorination" + } + ], "evidence": { - "evidenceCode": [], + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], "references": [ - "doi:" + "doi:10.1002/cbic.201300345" ] - }, + } + }, + { + "tailoring": [ + "Dehydrogenation", + "Halogenation" + ], + "description": "Bicyclic halogenation and dehydrogenation through C5 radical intermediate product", + "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]=[#6:7](-[Cl])-[#6:8]", "reactions": [ { + "substrate": "*SC(=O)CCCCC", "products": [ - "" - ] + "*SC(=O)CCC=C(C)Cl" + ], + "isIntermediate": true, + "description": "Single C5 chlorination and C4, C5 dehydrogenation resulting in a vinyl-chloride product" } - ] + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201300345" + ] + } + }, + { + "tailoring": [ + "Monooxygenation", + "Oxidation" + ], + "description": "Bicyclic monooxygenation through C5 radical intermediate product", + "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7](=[#8])-[#6:8]", + "reactions": [ + { + "substrate": "*SC(=O)CCCCC", + "products": [ + "*SC(=O)CCCC(C)=O" + ], + "isIntermediate": true, + "description": "C5 Monoxygenation" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201300345" + ] + } } ] } \ No newline at end of file From 4d8dd8b803a8d5fd312ecb3582be54969d205188 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sun, 14 Jun 2026 08:41:27 +0200 Subject: [PATCH 3/4] Delete mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json --- .../f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json | 120 ------------------ 1 file changed, 120 deletions(-) delete mode 100644 mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json diff --git a/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json b/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json deleted file mode 100644 index 3407ee28..00000000 --- a/mite_data/data/f9f5abd6-64c7-11f1-8c13-d1bbc094d4fb.json +++ /dev/null @@ -1,120 +0,0 @@ -{ - "accession": "MITE9999999", - "status": "pending", - "comment": "hectochlorin biosynthetic pathway of lyngbya majuscula.", - "changelog": [ - { - "version": "1", - "date": "2026-06-10", - "contributors": [ - "0009-0000-8651-1669" - ], - "reviewers": [ - "BBBBBBBBBBBBBBBBBBBBBBBB" - ], - "comment": "New entry." - } - ], - "enzyme": { - "name": "HctB", - "description": "fatty acyl halogenase", - "references": [ - "doi:10.1002/cbic.201300345" - ], - "databaseIds": { - "uniprot": "Q1EDB4", - "genpept": "AAY42394.1", - "mibig": "BGC0001000" - }, - "cofactors": { - "organic": [ - "a-Ketoglutaric acid" - ], - "inorganic": [ - "Fe" - ] - } - }, - "reactions": [ - { - "tailoring": [ - "Halogenation" - ], - "description": "Bicyclic halogenation through C5 radical intermediate product", - "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7](-[Cl])(-[Cl])-[#6:8]", - "reactions": [ - { - "substrate": "*SC(=O)CCCCC", - "products": [ - "*SC(=O)CCCC(C)(Cl)Cl" - ], - "isIntermediate": true, - "description": "C5 Dichlorination" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression", - "In vitro assay" - ], - "references": [ - "doi:10.1002/cbic.201300345" - ] - } - }, - { - "tailoring": [ - "Dehydrogenation", - "Halogenation" - ], - "description": "Bicyclic halogenation and dehydrogenation through C5 radical intermediate product", - "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]=[#6:7](-[Cl])-[#6:8]", - "reactions": [ - { - "substrate": "*SC(=O)CCCCC", - "products": [ - "*SC(=O)CCC=C(C)Cl" - ], - "isIntermediate": true, - "description": "Single C5 chlorination and C4, C5 dehydrogenation resulting in a vinyl-chloride product" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression", - "In vitro assay" - ], - "references": [ - "doi:10.1002/cbic.201300345" - ] - } - }, - { - "tailoring": [ - "Monooxygenation", - "Oxidation" - ], - "description": "Bicyclic monooxygenation through C5 radical intermediate product", - "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7](=[#8])-[#6:8]", - "reactions": [ - { - "substrate": "*SC(=O)CCCCC", - "products": [ - "*SC(=O)CCCC(C)=O" - ], - "isIntermediate": true, - "description": "C5 Monoxygenation" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression", - "In vitro assay" - ], - "references": [ - "doi:10.1002/cbic.201300345" - ] - } - } - ] -} \ No newline at end of file From ad5accc70d97fab65bf75107b55bc15d0f866792 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sun, 14 Jun 2026 08:41:29 +0200 Subject: [PATCH 4/4] Add submission --- mite_data/data/MITE9999999.json | 120 ++++++++++++++++++++++++++++++++ 1 file changed, 120 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..4d49d82d --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,120 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "Mononuclear non-heme iron enzyme with high substrate- and reaction promiscuity, including halogenation (Cl, Br), oxygenation, and vinyl-chloride formation. Consists of unusual three-domain structure with N-terminal catalytic halogenase domain, an ACBP, and an substrate-anchoring ACP.", + "changelog": [ + { + "version": "1", + "date": "2026-06-10", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "0000-0001-6534-6609" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "HctB", + "description": "Fatty acyl halogenase", + "references": [ + "doi:10.1002/cbic.201300345" + ], + "databaseIds": { + "uniprot": "Q1EDB4", + "genpept": "AAY42394.1", + "mibig": "BGC0001000" + }, + "cofactors": { + "organic": [ + "a-Ketoglutaric acid" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Halogenation" + ], + "description": "Bicyclic halogenation through C5 radical intermediate product in the hectochlorin biosynthetic pathway.", + "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7](-[Cl])(-[Cl])-[#6:8]", + "reactions": [ + { + "substrate": "*SC(=O)CCCCC", + "products": [ + "*SC(=O)CCCC(C)(Cl)Cl" + ], + "isIntermediate": true, + "description": "C5 dichlorination of fatty acyl substrate." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201300345" + ] + } + }, + { + "tailoring": [ + "Dehydrogenation", + "Halogenation" + ], + "description": "Bicyclic halogenation and dehydrogenation through C5 radical intermediate product in the hectochlorin biosynthetic pathway.", + "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]=[#6:7](-[Cl])-[#6:8]", + "reactions": [ + { + "substrate": "*SC(=O)CCCCC", + "products": [ + "*SC(=O)CCC=C(C)Cl" + ], + "isIntermediate": true, + "description": "Single C5 chlorination and C4, C5 dehydrogenation resulting in a vinyl-chloride product of fatty acyl substrate." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201300345" + ] + } + }, + { + "tailoring": [ + "Monooxygenation", + "Oxidation" + ], + "description": "Bicyclic monooxygenation through C5 radical intermediate product in the hectochlorin biosynthetic pathway.", + "reactionSMARTS": "[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7]-[#6:8]>>[*]-[#16:2]-[#6:3](=[#8:9])-[#6:4]-[#6:5]-[#6:6]-[#6:7](=[#8])-[#6:8]", + "reactions": [ + { + "substrate": "*SC(=O)CCCCC", + "products": [ + "*SC(=O)CCCC(C)=O" + ], + "isIntermediate": true, + "description": "C5 monoxygenation of fatty acyl substrate, resulting in keto-moiety." + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1002/cbic.201300345" + ] + } + } + ] +} \ No newline at end of file