From d26d5dd8763ba4737caa5d8457ba617c209ad61f Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 25 Jun 2026 09:16:47 +0200 Subject: [PATCH 1/4] Add submission UUID file --- .../a7d687a8-7061-11f1-b706-51217a93b141.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json diff --git a/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json b/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json new file mode 100644 index 00000000..d76ed8c5 --- /dev/null +++ b/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-06-25", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "KtzA", + "databaseIds": { + "uniprot": "UPI00015D3A85", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From b092f7d509d45dd956bd43adc2b728ac6017890e Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 25 Jun 2026 16:19:52 +0200 Subject: [PATCH 2/4] Update submission --- .../a7d687a8-7061-11f1-b706-51217a93b141.json | 42 ++++++++++++------- 1 file changed, 28 insertions(+), 14 deletions(-) diff --git a/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json b/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json index d76ed8c5..4c038ca0 100644 --- a/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json +++ b/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "Cyclopropanforming enzyme of \u03b3-chloroisoleucine thetered as thioester on the carrierprotein KtzC in the Kutzneride pathway. Stereochemistry could not be depicted due to incompatibility with validation engine.", "changelog": [ { "version": "1", @@ -16,29 +17,42 @@ ], "enzyme": { "name": "KtzA", + "description": "acyl-CoA dehydrogenase flavoprotein", + "references": [ + "doi:10.1021/ja8064667" + ], "databaseIds": { "uniprot": "UPI00015D3A85", - "genpept": "" - }, - "references": [ - "doi:" - ] + "genpept": "ABV56581.1", + "mibig": "BGC0000378" + } }, "reactions": [ { - "evidence": { - "evidenceCode": [], - "references": [ - "doi:" - ] - }, + "tailoring": [ + "Cyclization" + ], + "description": "KtzA deprotonates the C\u03b1 resulting in an intramolecular attack on the C\u03b3, eliminating the chlor substituent which forces the collaps into a cyclopropane ring", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:7](-[#16:9]-[*])=[#8:8])-[#7:6])-[#6:4]-[Cl]>>[*]-[#16:9]-[#6:7](-[#6:5]1(-[#6:3](-[#6:2]-[#6:1])-[#6:4]-1)-[#7:6])=[#8:8]", "reactions": [ { + "substrate": "*SC(=O)C(N)C(CC)CCl", "products": [ - "" - ] + "*SC(=O)C1(N)CC1CC" + ], + "isIntermediate": true, + "description": "Cyclization of \u03b3-chloroisoleucine thioester" } - ] + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1021/ja8064667" + ] + } } ] } \ No newline at end of file From f4cf5914c742403d37ec3dbbd7d5287a0ea5f0e9 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 8 Jul 2026 10:23:06 +0200 Subject: [PATCH 3/4] Delete mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json --- .../a7d687a8-7061-11f1-b706-51217a93b141.json | 58 ------------------- 1 file changed, 58 deletions(-) delete mode 100644 mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json diff --git a/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json b/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json deleted file mode 100644 index 4c038ca0..00000000 --- a/mite_data/data/a7d687a8-7061-11f1-b706-51217a93b141.json +++ /dev/null @@ -1,58 +0,0 @@ -{ - "accession": "MITE9999999", - "status": "pending", - "comment": "Cyclopropanforming enzyme of \u03b3-chloroisoleucine thetered as thioester on the carrierprotein KtzC in the Kutzneride pathway. Stereochemistry could not be depicted due to incompatibility with validation engine.", - "changelog": [ - { - "version": "1", - "date": "2026-06-25", - "contributors": [ - "0009-0000-8651-1669" - ], - "reviewers": [ - "BBBBBBBBBBBBBBBBBBBBBBBB" - ], - "comment": "New entry." - } - ], - "enzyme": { - "name": "KtzA", - "description": "acyl-CoA dehydrogenase flavoprotein", - "references": [ - "doi:10.1021/ja8064667" - ], - "databaseIds": { - "uniprot": "UPI00015D3A85", - "genpept": "ABV56581.1", - "mibig": "BGC0000378" - } - }, - "reactions": [ - { - "tailoring": [ - "Cyclization" - ], - "description": "KtzA deprotonates the C\u03b1 resulting in an intramolecular attack on the C\u03b3, eliminating the chlor substituent which forces the collaps into a cyclopropane ring", - "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:7](-[#16:9]-[*])=[#8:8])-[#7:6])-[#6:4]-[Cl]>>[*]-[#16:9]-[#6:7](-[#6:5]1(-[#6:3](-[#6:2]-[#6:1])-[#6:4]-1)-[#7:6])=[#8:8]", - "reactions": [ - { - "substrate": "*SC(=O)C(N)C(CC)CCl", - "products": [ - "*SC(=O)C1(N)CC1CC" - ], - "isIntermediate": true, - "description": "Cyclization of \u03b3-chloroisoleucine thioester" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression", - "In vitro assay" - ], - "references": [ - "doi:10.1021/ja8064667" - ] - } - } - ] -} \ No newline at end of file From 1a6783ec7def1f05c88b1ff435bc0c7157dc3598 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 8 Jul 2026 10:23:08 +0200 Subject: [PATCH 4/4] Add submission --- mite_data/data/MITE9999999.json | 58 +++++++++++++++++++++++++++++++++ 1 file changed, 58 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..0a04852c --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,58 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "Cyclopropanforming enzyme of \u03b3-chloroisoleucine thetered as thioester on the carrierprotein KtzC in the Kutzneride pathway. Stereochemistry could not be depicted due to incompatibility with validation engine.", + "changelog": [ + { + "version": "1", + "date": "2026-06-25", + "contributors": [ + "0009-0000-8651-1669" + ], + "reviewers": [ + "0000-0001-6534-6609" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "KtzA", + "description": "acyl-CoA dehydrogenase flavoprotein", + "references": [ + "doi:10.1021/ja8064667" + ], + "databaseIds": { + "uniprot": "UPI00015D3A85", + "genpept": "ABV56581.1", + "mibig": "BGC0000378" + } + }, + "reactions": [ + { + "tailoring": [ + "Cyclization" + ], + "description": "KtzA deprotonates the C\u03b1 resulting in an intramolecular attack on the C\u03b3, eliminating the chlor substituent which forces the collaps into a cyclopropane ring", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:7](-[#16:9]-[*])=[#8:8])-[#7:6])-[#6:4]-[Cl]>>[*]-[#16:9]-[#6:7](-[#6:5]1(-[#6:3](-[#6:2]-[#6:1])-[#6:4]-1)-[#7:6])=[#8:8]", + "reactions": [ + { + "substrate": "*SC(=O)C(N)C(CC)CCl", + "products": [ + "*SC(=O)C1(N)CC1CC" + ], + "isIntermediate": true, + "description": "Cyclization of \u03b3-chloroisoleucine thioester" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "In vitro assay" + ], + "references": [ + "doi:10.1021/ja8064667" + ] + } + } + ] +} \ No newline at end of file