From 33665f0f6bc1506b1006d0c30413bce1f57115ee Mon Sep 17 00:00:00 2001 From: mite-bot Date: Fri, 24 Jul 2026 17:24:25 +0200 Subject: [PATCH 1/5] Add submission UUID file --- .../1e45ccec-8772-11f1-8cab-df74baa3faa7.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json diff --git a/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json b/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json new file mode 100644 index 00000000..8c931d54 --- /dev/null +++ b/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-07-24", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "SneP", + "databaseIds": { + "uniprot": "UPI00160C074B", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From f70a99749e971d3ca1a7a5c373973c5ddb4444c0 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Fri, 24 Jul 2026 17:55:50 +0200 Subject: [PATCH 2/5] Update submission --- .../1e45ccec-8772-11f1-8cab-df74baa3faa7.json | 46 +++++++++++++------ 1 file changed, 33 insertions(+), 13 deletions(-) diff --git a/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json b/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json index 8c931d54..51d7e624 100644 --- a/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json +++ b/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "SneP forms two biaryl cross-links (C-C and ether) on the core peptide sequence of YSYY", "changelog": [ { "version": "1", @@ -16,29 +17,48 @@ ], "enzyme": { "name": "SneP", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/jacs.3c07416" + ], "databaseIds": { "uniprot": "UPI00160C074B", - "genpept": "" + "genpept": "WXH40812.1" }, - "references": [ - "doi:" - ] + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } }, "reactions": [ { - "evidence": { - "evidenceCode": [], - "references": [ - "doi:" - ] - }, + "tailoring": [ + "Biaryl bond formation" + ], + "description": "SneP catalyzes C\u2013C and an ether linkage on the YSYY motif", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:15](-[#7:17]-[#6:18](-[#6:23](-[#7:25]-[#6:26](-[#6:200](-[#8:202])-[#6:201])-[#6:27](-[#7:29]-[#6:30]-[#6:31](-[#7:33]-[#6:34](-[#6:36](-[#7:38]-[#6:39](-[#6:44](-[#7:46]-[#6:47](-[#6:55](-[#7:57]-[#6:58](-[#6:60](-[#7:62]-[#6:63](-[#6:71](-[#7:73]-[#6:74](-[#6:79](-[#7:81]-[#6:82](-[#6:197](-[#8:199])-[#6:198])-[#6:83](-[#7:85]-[#6:86](-[#6:94](-[#7:96]-[#6:97](-[#6:103](-[#7:105]-[#6:106](-[#6:111](-[#7:113]-[#6:114](-[#6:122](-[#7:124]-[#6:125](-[#6:130](-[#7:132]-[#6:133](-[#6:194](-[#8:196])-[#6:195])-[#6:134](-[#7:136]-[#6:137](-[#6:142](-[#7:144]1-[#6:148](-[#6:149](-[#7:151]-[#6:152](-[#6:161](-[#7:163]-[#6:164](-[#6:167](-[#7:169]-[#6:170](-[#6:179](-[#7:181]-[#6:182](-[#6:191](-[#8:193])=[#8:192])-[#6:183]-[#6:184]2:[#6:190]:[#6:189]:[#6:187](-[#8:188]):[#6:186]:[#6:185]:2)=[#8:180])-[#6:171]-[#6:172]2:[#6:178]:[#6:177]:[#6:175](-[#8:176]):[#6:174]:[#6:173]:2)=[#8:168])-[#6:165]-[#8:166])=[#8:162])-[#6:153]-[#6:154]2:[#6:160]:[#6:159]:[#6:157](-[#8:158]):[#6:156]:[#6:155]:2)=[#8:150])-[#6:147]-[#6:146]-[#6:145]-1)=[#8:143])-[#6:138]-[#6:139](-[#6:141])-[#6:140])=[#8:135])=[#8:131])-[#6:126]-[#6:127](-[#6:129])-[#6:128])=[#8:123])-[#6:115]-[#6:116]-[#6:117]-[#7:118]-[#6:119](-[#7:121])=[#7:120])=[#8:112])-[#6:107]-[#6:108](-[#8:110])=[#8:109])=[#8:104])-[#6:98]-[#6:99]-[#6:100]-[#6:101]-[#7:102])=[#8:95])-[#6:87]-[#6:88]-[#6:89]-[#7:90]-[#6:91](-[#7:93])=[#7:92])=[#8:84])=[#8:80])-[#6:75]-[#6:76](-[#6:78])-[#6:77])=[#8:72])-[#6:64]-[#6:65]-[#6:66]-[#7:67]-[#6:68](-[#7:70])=[#7:69])=[#8:61])-[#6:59])=[#8:56])-[#6:48]-[#6:49]1:[#6:54]:[#6:53]:[#6:52]:[#6:51]:[#6:50]:1)=[#8:45])-[#6:40]-[#6:41](-[#6:43])-[#6:42])=[#8:37])-[#6:35])=[#8:32])=[#8:28])=[#8:24])-[#6:19]-[#6:20](-[#6:22])-[#6:21])=[#8:16])-[#7:6]-[#6:7](-[#6:9](-[#6:11]-[#6:12]-[#16:13]-[#6:14])-[#7:10])=[#8:8])-[#6:4]>>[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:15](-[#7:17]-[#6:18](-[#6:23](-[#7:25]-[#6:26](-[#6:200](-[#8:202])-[#6:201])-[#6:27](-[#7:29]-[#6:30]-[#6:31](-[#7:33]-[#6:34](-[#6:36](-[#7:38]-[#6:39](-[#6:44](-[#7:46]-[#6:47](-[#6:55](-[#7:57]-[#6:58](-[#6:60](-[#7:62]-[#6:63](-[#6:71](-[#7:73]-[#6:74](-[#6:79](-[#7:81]-[#6:82](-[#6:197](-[#8:199])-[#6:198])-[#6:83](-[#7:85]-[#6:86](-[#6:94](-[#7:96]-[#6:97](-[#6:103](-[#7:105]-[#6:106](-[#6:111](-[#7:113]-[#6:114](-[#6:122](-[#7:124]-[#6:125](-[#6:130](-[#7:132]-[#6:133](-[#6:194](-[#8:196])-[#6:195])-[#6:134](-[#7:136]-[#6:137](-[#6:142](-[#7:144]1-[#6:148](-[#6:149](-[#7:151]-[#6:152]2-[#6:161](=[#8:162])-[#7:163]-[#6:164](-[#6:165]-[#8:166])-[#6:167](=[#8:168])-[#7:169]-[#6:170]3-[#6:171]-[#6:172]4:[#6:178]:[#6:177](-[#6:186]5:[#6:187](-[#8:188]):[#6:189]:[#6:190]:[#6:184](-[#6:183]-[#6:182](-[#7:181]-[#6:179]-3=[#8:180])-[#6:191](-[#8:193])=[#8:192]):[#6:185]:5):[#6:175](-[#8:176]):[#6:174](:[#6:173]:4)-[#8:158]-[#6:157]3:[#6:156]:[#6:155]:[#6:154](:[#6:160]:[#6:159]:3)-[#6:153]-2)=[#8:150])-[#6:147]-[#6:146]-[#6:145]-1)=[#8:143])-[#6:138]-[#6:139](-[#6:141])-[#6:140])=[#8:135])=[#8:131])-[#6:126]-[#6:127](-[#6:129])-[#6:128])=[#8:123])-[#6:115]-[#6:116]-[#6:117]-[#7:118]-[#6:119](-[#7:121])=[#7:120])=[#8:112])-[#6:107]-[#6:108](-[#8:110])=[#8:109])=[#8:104])-[#6:98]-[#6:99]-[#6:100]-[#6:101]-[#7:102])=[#8:95])-[#6:87]-[#6:88]-[#6:89]-[#7:90]-[#6:91](-[#7:93])=[#7:92])=[#8:84])=[#8:80])-[#6:75]-[#6:76](-[#6:77])-[#6:78])=[#8:72])-[#6:64]-[#6:65]-[#6:66]-[#7:67]-[#6:68](-[#7:70])=[#7:69])=[#8:61])-[#6:59])=[#8:56])-[#6:48]-[#6:49]1:[#6:50]:[#6:51]:[#6:52]:[#6:53]:[#6:54]:1)=[#8:45])-[#6:40]-[#6:41](-[#6:42])-[#6:43])=[#8:37])-[#6:35])=[#8:32])=[#8:28])=[#8:24])-[#6:19]-[#6:20](-[#6:21])-[#6:22])=[#8:16])-[#7:6]-[#6:7](-[#6:9](-[#6:11]-[#6:12]-[#16:13]-[#6:14])-[#7:10])=[#8:8])-[#6:4]", "reactions": [ { + "substrate": "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)O)C(C)O)C(C)O", "products": [ - "" - ] + "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC1Cc2ccc(cc2)Oc2cc3cc(c2O)-c2cc(ccc2O)CC(C(=O)O)NC(=O)C(C3)NC(=O)C(CO)NC1=O)C(C)O)C(C)O)C(C)O" + ], + "isIntermediate": true, + "description": "SneP catalyzes biaryl C-C and biaryl ether cross-link on the precursor peptide SneA, before the release of mature crosslinked peptide YSYY. SneA: MILTGALFARLTRKDRLTLPYSYY" } - ] + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/jacs.3c07416" + ] + } } ] } \ No newline at end of file From 4e230cd234d4d5121ba972f0ff62f6234b73de2f Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 20 Aug 2026 15:29:57 +0200 Subject: [PATCH 3/5] Delete mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json --- .../1e45ccec-8772-11f1-8cab-df74baa3faa7.json | 64 ------------------- 1 file changed, 64 deletions(-) delete mode 100644 mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json diff --git a/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json b/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json deleted file mode 100644 index 51d7e624..00000000 --- a/mite_data/data/1e45ccec-8772-11f1-8cab-df74baa3faa7.json +++ /dev/null @@ -1,64 +0,0 @@ -{ - "accession": "MITE9999999", - "status": "pending", - "comment": "SneP forms two biaryl cross-links (C-C and ether) on the core peptide sequence of YSYY", - 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SneA: MILTGALFARLTRKDRLTLPYSYY" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression" - ], - "references": [ - "doi:10.1021/jacs.3c07416" - ] - } - } - ] -} \ No newline at end of file From 8a71777ca582ee2532369340ac9303d7fbfb8829 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 20 Aug 2026 15:29:59 +0200 Subject: [PATCH 4/5] Add submission --- mite_data/data/MITE9999999.json | 66 +++++++++++++++++++++++++++++++++ 1 file changed, 66 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..eea81c79 --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,66 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "SneP forms two biaryl cross-links (C-C and ether) on the core peptide sequence of YSYY", + "changelog": [ + { + "version": "1", + "date": "2026-07-24", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "0009-0008-6482-7206" + ], + "comment": "New entry. Added missing Tailoring reaction terms." + } + ], + "enzyme": { + "name": "SneP", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/jacs.3c07416" + ], + "databaseIds": { + "uniprot": "UPI00160C074B", + "genpept": "WXH40812.1" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Biaryl bond formation", + "Cyclization", + "Oxidation" + ], + "description": "SneP catalyzes C\u2013C and an ether linkage on the YSYY motif", + "reactionSMARTS": 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+ "reactions": [ + { + "substrate": "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)O)C(C)O)C(C)O", + "products": [ + "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC1Cc2ccc(cc2)Oc2cc3cc(c2O)-c2cc(ccc2O)CC(C(=O)O)NC(=O)C(C3)NC(=O)C(CO)NC1=O)C(C)O)C(C)O)C(C)O" + ], + "isIntermediate": true, + "description": "SneP catalyzes biaryl C-C and biaryl ether cross-link on the precursor peptide SneA, before the release of mature crosslinked peptide YSYY. SneA: MILTGALFARLTRKDRLTLPYSYY" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/jacs.3c07416" + ] + } + } + ] +} \ No newline at end of file From 79aa330ced9283ab3c80cb2c59928246a902272c Mon Sep 17 00:00:00 2001 From: "Mitja M. Zdouc" <95709447+mmzdouc@users.noreply.github.com> Date: Wed, 9 Sep 2026 12:31:32 +0200 Subject: [PATCH 5/5] Update MITE9999999.json Added review --- mite_data/data/MITE9999999.json | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json index eea81c79..cd2b3cad 100644 --- a/mite_data/data/MITE9999999.json +++ b/mite_data/data/MITE9999999.json @@ -10,9 +10,10 @@ "0009-0008-8086-5325" ], "reviewers": [ - "0009-0008-6482-7206" + "0009-0008-6482-7206", + "0000-0001-6534-6609" ], - "comment": "New entry. Added missing Tailoring reaction terms." + "comment": "New entry. Reviewer 1 added missing tailoring reaction terms." } ], "enzyme": { @@ -63,4 +64,4 @@ } } ] -} \ No newline at end of file +}