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9 changes: 9 additions & 0 deletions mite_data/fasta/MITE0000486.fasta
Original file line number Diff line number Diff line change
@@ -0,0 +1,9 @@
>MITE0000486 WGH00047.1
MGHIVEGIVHYLANNANHPAFETLSAGMVAKSLLFTWASYYILSIIYSLTFHPLAKYPGPKLAAVTRLWH
SYQLCTGGIVSTLSKAHEKYGPVLRIAPDELLFTSSRAWDDIYGIQPGKLEMDKTTPLYKGPTAPHSIVT
VDGELHRFYRRLLAKGFSDAALREQEPVIKRNIDLLIEKLHVEVAAGKTPEMTSWFNYATFDLIGELAFG
ETYGCLENSQYHPWVEMILEVMKLRAMTHAVGYYPWAFHILMWFVPKTLRDKFVTHRKFTDEKVQRRMDR
KIDYKDLTTNLFDPKNGLERYEINGNCSTLIIAGSETTATALSATLYFLTQNTHAKRKVIDEIRSMFTSA
DDINSVSTNQLKYLNACINEALRIFPPGPAVFPRRVPRGGGVIDGHWIPGGTQVGIAHFCINHSKENFVD
PGSYIPERWLGDGAYENDDRHAMQAFSYGPRNCIAINLARLEIRWVLARLIWEFDWELTPGSERWEEALV
FNVWSTKLLNIKFVPVAR
10 changes: 5 additions & 5 deletions mite_data/metadata/artifact_metadata.json
Original file line number Diff line number Diff line change
@@ -1,9 +1,9 @@
{
"version": "1.30",
"hash_mite_prot_acc": "d415c0b46a4883f941582773268763cfc4ce370890b50d2aefea521e67387ca9",
"hash_general_summary": "c288fe323226d88c70eb286c45111e9984cca294afdf06e990d0b543422365d0",
"summary": "d3a19baeb4a8b743e8e0a14ff3e0f02e27c640122735012b98ce47880cfe7d4b",
"hash_mite_prot_acc": "b02ea27f968122f2628368bf6cf8ce620e2c738594d89a67e6c9c946de2d6442",
"hash_general_summary": "8be5f6b8be91fd6458a7283a63f726604155b40d62e16a6607fd5caa10e2c09e",
"summary": "8c5cee5f437cd8a5ddbc4deef9d497a58cf8c88f0169b64716e24caf53896297",
"hash_mibig_summary": "a66415affea4674ddf127eb492e878197cb1b9c4543894b98d61d61c2ac5b42e",
"smarts": "e636dc7ec22bada9797727515cbca8d81ba9f9075df3b91a1960b8c2b3309b5a",
"smiles": "8067c908b14ae1df1351f8ffacd997476f0b0b299c6bd3a7c411b64d595a2c07"
"smarts": "96c82af9581874ba8b46f3ea52a3affb427bcf014b480340b62da677abe7ccb8",
"smiles": "9b3afbfe4d9f8ce9acb7a98775d998cef571aea603f24f3260ce26cd39ad4435"
}
3 changes: 2 additions & 1 deletion mite_data/metadata/dump_smarts.csv
Original file line number Diff line number Diff line change
Expand Up @@ -629,4 +629,5 @@
627,MITE0000482.reaction1,[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\[#6:42](-[#7:44]/[#6@:45](-[#6:50](-[#8:52])=[#8:51])-[#6:46]-[#6:47](-[#8:49])=[#8:48])=[#8:43])-[#7:6]-[#6:7](/[#6@:9]1-[#7:13](-[#6:14](/[#6@:16](-[#6@:38](-[#6:40]-[#6:41])/[#6:39])-[#7:17]-[#6:18](\[#6@:20](-[#6:35](-[#6:37])-[#6:36])-[#7:21]-[#6:22](-[#6@:24](-[#6:26]-[#6:27]2:[#6:34]:[#6:32](-Cl:33):[#6:30](-[#8:31]):[#6:29]:[#6:28]:2)\[#7:25])=[#8:23])=[#8:19])=[#8:15])-[#6:12]-[#6:11]-[#6:10]-1)=[#8:8])\[#6:4]>>[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\[#6:42](-[#7:44]/[#6@:45](-[#6:50](-[#8:52])=[#8:51])-[#6:46]-[#6:47](-[#8:49])=[#8:48])=[#8:43])-[#7:6]-[#6:7](/[#6@:9]1-[#7:13](-[#6:14](/[#6@:16](-[#6@:38](-[#6:40]-[#6:41])/[#6:39])-[#7:17]-[#6:18](\[#6@:20](-[#6:35](-[#6:36])-[#6:37])-[#7:21]-[#6:22](-[#6@:24](-[#6:26]-[#6:27]2:[#6:34]:[#6:32](-Cl:33):[#6:30](-[#8:31]):[#6:29](-[#8]):[#6:28]:2)\[#7:25])=[#8:23])=[#8:19])=[#8:15])-[#6:12]-[#6:11]-[#6:10]-1)=[#8:8])\[#6:4]
628,MITE0000483.reaction1,[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\[#6:41](-[#7:43]/[#6@:44](-[#6:49](-[#8:51])=[#8:50])-[#6:45]-[#6:46](-[#8:48])=[#8:47])=[#8:42])-[#7:6]-[#6:7](/[#6@:9]1-[#7:13](-[#6:14](/[#6@:16](-[#6@:37](-[#6:39]-[#6:40])/[#6:38])-[#7:17]-[#6:18](\[#6@:20](-[#6:34](-[#6:36])-[#6:35])-[#7:21]-[#6:22](-[#6@:24](-[#6:26]-[#6:27]2:[#6:33]:[#6:32]:[#6:30](-[#8:31]):[#6:29]:[#6:28]:2)\[#7:25])=[#8:23])=[#8:19])=[#8:15])-[#6:12]-[#6:11]-[#6:10]-1)=[#8:8])\[#6:4]>>[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\[#6:41](-[#7:43]/[#6@:44](-[#6:49](-[#8:51])=[#8:50])-[#6:45]-[#6:46](-[#8:48])=[#8:47])=[#8:42])-[#7:6]-[#6:7](/[#6@:9]1-[#7:13](-[#6:14](/[#6@:16](-[#6@:37](-[#6:39]-[#6:40])/[#6:38])-[#7:17]-[#6:18](\[#6@:20](-[#6:34](-[#6:35])-[#6:36])-[#7:21]-[#6:22](-[#6@:24](-[#6:26]-[#6:27]2:[#6:28]:[#6:29](-Cl):[#6:30](-[#8:31]):[#6:32]:[#6:33]:2)\[#7:25])=[#8:23])=[#8:19])=[#8:15])-[#6:12]-[#6:11]-[#6:10]-1)=[#8:8])\[#6:4]
629,MITE0000485.reaction1,[#6:1]-[#6:2]1:[#6:7](-[#6:8](-[#8:10]-[#6:11]2:[#6:16]:[#6:15](-[#6:17]):[#6:14](-[#6:18](-[#8:20])=[#8:19]):[#6:13](-[#8:21]):[#6:12]:2-[#6:22])=[#8:9]):[#6:6](-[#8:23]):[#6:5](-[#6:24]):[#6:4](-[#8:25]):[#6:3]:1>>[#6:1]-[#6:2]1:[#6:7](-[#6:8](-[#8:10]-[#6:11]2:[#6:16]:[#6:15](-[#6:17]):[#6:14](-[#6:18](-[#8:20]-[#6])=[#8:19]):[#6:13](-[#8:21]):[#6:12]:2-[#6:22])=[#8:9]):[#6:6](-[#8:23]):[#6:5](-[#6:24]):[#6:4](-[#8:25]):[#6:3]:1
630,MITE0000487.reaction1,C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O>>C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
630,MITE0000486.reaction1,[#6:1]-[#6:2](=[#6:4]1-[#6:24](=[#8:25])-[#7:23]2-[#6:7](-[#6:8]3-[#6:19](-[#6:20]-2(-[#6:22])-[#6:21])-[#6:18]-[#6:16]2:[#6:17]4:[#6:12](:[#6:13]:[#6:14]:[#6:15]:2):[#7:11]:[#6:10]:[#6:9]-3:4)-[#6:5]-1=[#8:6])-[#8:3]>>[#6:1]-[#6:2](=[#6:4]1-[#6:24](=[#8:25])-[#7:23]2-[#6:7](-[#6:8]3-[#6:19](-[#6:20]-2(-[#6:21])-[#6:22])-[#6:18]-[#6:16]2:[#6:17]4:[#6:12](:[#6:13]:[#6:14]:[#6:15]:2)-[#7:11]-[#6:10](=[#8])-[#6:9]-3-4)-[#6:5]-1=[#8:6])-[#8:3]
631,MITE0000487.reaction1,C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O>>C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
3 changes: 2 additions & 1 deletion mite_data/metadata/dump_smiles.csv
Original file line number Diff line number Diff line change
Expand Up @@ -629,4 +629,5 @@
627,MITE0000482.reaction1.example1,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(Cl)c1)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)O,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cc(O)c(O)c(Cl)c1)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)O
628,MITE0000483.reaction1.example1,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)O,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(Cl)c1)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)O
629,MITE0000485.reaction1.example1,Cc1cc(O)c(C)c(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1C,COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c1O
630,MITE0000487.reaction1.example1,C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O,C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
630,MITE0000486.reaction1.example1,C/C(O)=C1\C(=O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O,CC(O)=C1C(=O)C2C3C4C(=O)Nc5cccc(c54)CC3C(C)(C)N2C1=O
631,MITE0000487.reaction1.example1,C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O,C=C1CC[C@@H]2[C@](C)(CCC(=O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
20 changes: 20 additions & 0 deletions mite_data/metadata/metadata_general.json
Original file line number Diff line number Diff line change
Expand Up @@ -10164,6 +10164,26 @@
"status":"active",
"tailoring":"Methylation"
},
"MITE0000486":{
"accession":"MITE0000486",
"class_name":"Ascomycota",
"cofactors_inorganic":"Fe",
"cofactors_organic":"Heme",
"domain":"Eukaryota",
"enzyme_description":"Cytochrome P450",
"enzyme_ids":{
"genpept":"WGH00047.1"
},
"enzyme_name":"SpeD",
"family":"Eurotiomycetes",
"kingdom":"Fungi",
"order":"Pezizomycotina",
"organism":"Penicillium palitans",
"phylum":"Dikarya",
"reaction_description":"indole C-2 oxidation of cyclopiazonic acid during speradine biosynthesis",
"status":"active",
"tailoring":"Oxidation"
},
"MITE0000487":{
"accession":"MITE0000487",
"class_name":"Ascomycota",
Expand Down
1 change: 1 addition & 0 deletions mite_data/metadata/mite_prot_accessions.csv
Original file line number Diff line number Diff line change
Expand Up @@ -458,4 +458,5 @@ MITE0000470,active,MCW6049891.1,UPI0022389DA3
MITE0000482,active,BDA39150.1,A0A8J9RRY2
MITE0000483,active,BDA39149.1,A0A8J9R8H5
MITE0000485,active,QXF68951.1,A0A8F4PN06
MITE0000486,active,WGH00047.1,
MITE0000487,active,,H1VN83
1 change: 1 addition & 0 deletions mite_data/metadata/summary.csv
Original file line number Diff line number Diff line change
Expand Up @@ -472,4 +472,5 @@ MITE0000470,active,AutF,Prenyltransferase,Prenylation,AutF catalyses prenylation
MITE0000482,active,PhomQ2,"Monooxygenase, Oxidoreductase",Hydroxylation|Oxidation,Hydroxylation of the tyrosine moiety,N/A,Cu,Diaporthe leptostromiformis,Eukaryota,Fungi,Dikarya,Ascomycota,Pezizomycotina,Sordariomycetes
MITE0000483,active,PhomQ1,"Halogenase, Oxidoreductase",Halogenation,Chlorination of tyrosine of the core peptide,N/A,Cu,Diaporthe leptostromiformis,Eukaryota,Fungi,Dikarya,Ascomycota,Pezizomycotina,Sordariomycetes
MITE0000485,active,Atr3,O-methyltransferase,Methylation,SAM-dependent methyltransferase,SAM,N/A,Stereocaulon alpinum,Eukaryota,Fungi,Dikarya,Ascomycota,Pezizomycotina,Lecanoromycetes
MITE0000486,active,SpeD,Cytochrome P450,Oxidation,indole C-2 oxidation of cyclopiazonic acid during speradine biosynthesis,Heme,Fe,Penicillium palitans,Eukaryota,Fungi,Dikarya,Ascomycota,Pezizomycotina,Eurotiomycetes
MITE0000487,active,dpchG,Short chain dehydrogenase/reductase,Oxidation,SDR-mediated oxidation of the 8S hydroxy group to a ketone in higginsianin biosynthesis,NADP,N/A,Colletotrichum higginsianum (strain IMI 349063),Eukaryota,Fungi,Dikarya,Ascomycota,Pezizomycotina,Sordariomycetes