Skip to content
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 8 additions & 0 deletions mite_data/fasta/MITE0000482.fasta
Original file line number Diff line number Diff line change
@@ -0,0 +1,8 @@
>MITE0000482 A0A8J9RRY2
MDNVGCEASSSRDPKGKKAVGFSPKLRVDKDCARWGNENVEEQTIGTQPTWRNHQHQTSR
IRGFICATIIFVVCLGALSYIYRVDVSTTMLSTNQMNESHTAQCKNPPTRREWRGLTTGE
KQEFTRSVNCLSRVPSKWGLNGTLYDDFSALHGGIGSWSHRSSSFLPWHRNALYVWEAAL
REHCGFNGQIPYWDWTMDWMNLANSSIWDSTEGFGGDGEVGGPITVGEGRCVVDGPFTDL
RPIKYNHTYVQHCLSRGFRDNGTLGHMSGLPFRPEIIGEVRRKETFVDFEAAVEMHLHNA
MHLAISGDFLALTAANDPIFYVHHAQMDHLWWQWQQENRERRLFEYNGKHMHNSTGHDAS
LDSMLVYGGFTEDIPVSEVMDTEKGKLCYRY
12 changes: 6 additions & 6 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": "fa24b4d8168c7f793099eec62ceb1b1b0dae634ff0680b1836eb9511f7fffd30",
"hash_general_summary": "d5cfa17db0b3d29dff305cfd0f47afcdf3d0e6f276f00f1c47f48c1a602fe460",
"summary": "ce6d18693a2fc78712d12c66a4ce5deee7d4dc1b62672480ee95847fb807f26a",
"hash_mibig_summary": "5e0b4f45507c836c9fb226f884b4e058149886ff9f5a7e19705956617b8f1eec",
"smarts": "858e91ba07105a27c5d538523c0614e420a86e6c67ce582e6a1a339270990783",
"smiles": "2daf4e34bcce289f4adf16e61745bbacaaf671a31fbf66780aebd3cbe658b31a"
"hash_mite_prot_acc": "e26c27dfd93d7fa7dfc5bb1406bddcc8ab0659a90f3b1950920c6fcdad2fe35c",
"hash_general_summary": "afb837897044bf02a4ba2b52caae4a87aebe54c4189f55ade858102cdbbaded4",
"summary": "0f5c74085e885ed338e4e394fa557f981527ebf0e7526f4890c77373966ced47",
"hash_mibig_summary": "65902c81c9895f2c52f8a2eb749f90723feadc23cc93c2c9b2bf9ce4bb4db276",
"smarts": "15edfa8faa417896770fc73f26ac6ced2baeebc69a28bbcdb893796b4f2f30ba",
"smiles": "cd363d7b6dd64627577bf6e67cc9e383a44991cffca7c53c1c9fd6e5a8107c31"
}
1 change: 1 addition & 0 deletions mite_data/metadata/dump_smarts.csv
Original file line number Diff line number Diff line change
Expand Up @@ -626,3 +626,4 @@
624,MITE0000468.reaction1,[#8:1]=[#6:16]1-[#8:17]-[#6@@:24](-[#6:25]-[#6:26]-[#6:27]-[#6:28]-[#6@@:31](-[#6@@:33](-[#6:34]-[#6:35]-[#6@:36](\[#6:37])-[#6:3](-[#6@:5](-[#6@@:7](-[#6@:10](-[#6:13](-[#6@@:15]-1\[#6:14])(-[#8])-[#8:11])/[#8:9]-[#6:8])\[#8:6])/[#6:4])-[#8:2])/[#8:32])/[#8:30]-[#6:29])\[#6:23]1:[#6:22]:[#6:21]:[#6:20]:[#6:19]:[#6:18]:1>>[#8:1]=[#6:16]1-[#8:17]-[#6@@:24](-[#6:25]-[#6:26]-[#6:27]-[#6:28]-[#6@@:31](-[#6@@:33](-[#6:34]-[#6:35]-[#6@:36](/[#6:37])-[#6@:3]2-[#6@:5](-[#6@@:7](-[#6@:10](-[#6@:13](-[#6@@:15]-1/[#6:14])(\[#8:11])-[#8:2]/2)/[#8:9]-[#6:8])\[#8:6])/[#6:4])\[#8:32])\[#8:30]-[#6:29])/[#6:23]1:[#6:18]:[#6:19]:[#6:20]:[#6:21]:[#6:22]:1
625,MITE0000469.reaction1,[#6:1]-[#8:2]-[#6:3]1:[#6:22](-[Cl:23]):[#6:20](-[#8:21]):[#6:7](-[#6:8](-[#6:10]2:[#6:17](-[#8:18]-[#6:19]):[#6:16]:[#6:14](-[#8]):[#6:13]:[#6:11]:2-[#6:12])=[#8:9]):[#6:5](-[#8:6]):[#6:4]:1>>[#6:1]-[#8:2]-[#6:3]1:[#6:22](-[Cl:23]):[#6:20]2-[#8@@:21]\[#6@@:10]3(/[#6:8](=[#8:9])-[#6:7]:2:[#6:5](-[#8:6]):[#6:4]:1)-[#6:17](-[#8:18]-[#6:19])=[#6:16]-[#6:14](=[#8:2])-[#6:13]=[#6:11]-3-[#6:12]
626,MITE0000470.reaction1,[#7:1]-[#6:2](=[#7:60])-[#7:3]-[#6:4]-[#6:5]-[#6:6]/[#6@@:7]1-[#6:11](=[#8:59])-[#7:12]-[#6@:13](-[#6:21](=[#8:58])-[#7:22]2-[#6@@:26](-[#6:27](=[#8:57])-[#7:28]-[#6:29]-[#6:30](=[#8:56])-[#7:31]-[#6@@:32](\[#6:52]-[#6:53](-[#6:55])-[#6:54])-[#6:33](=[#8:51])-[#7:34]-[#6@:35](-[#6:40](=[#8:50])-[#7:41]-[#6@@:42](\[#6:43]-[#6:44]3:[#6:49]:[#6:48]:[#6:47]:[#6:46]:[#6:45]:3)-[#6:9](=[#8:10])-[#7:8]-1)\[#6:36]-[#6:37](=[#8:39])-[#8:38])/[#6:25]-[#6:24]-[#6:23]-2)\[#6:14]-[#6:15]1:[#6:20]:[#6:19]:[#6:18]:[#6:17]:[#6:16]:1>>[#6:14]-[#6:15](=[#6:16]-[#6:17]-[#7:1]-[#6:2](=[#7:60])-[#7:3]-[#6:4]-[#6:5]-[#6:6]/[#6@@:7]1-[#6:11](=[#8:59])-[#7:12]-[#6@:13](-[#6:21](=[#8:58])-[#7:22]2-[#6@@:26](-[#6:27](=[#8:57])-[#7:28]-[#6:29]-[#6:30](=[#8:56])-[#7:31]-[#6@@:32](\[#6:52]-[#6:53](-[#6:55])-[#6:54])-[#6:33](=[#8:51])-[#7:34]-[#6@:35](-[#6:40](=[#8:50])-[#7:41]-[#6@@:42](\[#6:43]-[#6:44]3:[#6:45]:[#6:46]:[#6:47]:[#6:48]:[#6:49]:3)-[#6:9](=[#8:10])-[#7:8]-1)\[#6:36]-[#6:37](=[#8:39])-[#8:38])/[#6:25]-[#6:24]-[#6:23]-2)\[#6:14]-[#6:15]1:[#6:16]:[#6:17]:[#6:18]:[#6:19]:[#6:20]:1)-[#6:20]
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]
1 change: 1 addition & 0 deletions mite_data/metadata/dump_smiles.csv
Original file line number Diff line number Diff line change
Expand Up @@ -626,3 +626,4 @@
624,MITE0000468.reaction1.example1,CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)C(O)(O)[C@H](OC)[C@@H](O)[C@H](C)C(O)[C@@H](C)CC[C@H]1O,CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@H]([C@@H](C)[C@H](O)[C@H]2OC)[C@@H](C)CC[C@H]1O
625,MITE0000469.reaction1.example1,COc1cc(O)c(C(=O)c2c(C)cc(O)cc2OC)c(O)c1Cl,COC1=CC(=O)C=C(C)[C@@]12Oc1c(Cl)c(OC)cc(O)c1C2=O
626,MITE0000470.reaction1.example1,CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC1=O,CC(C)=CCNC(=N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
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
22 changes: 22 additions & 0 deletions mite_data/metadata/metadata_general.json
Original file line number Diff line number Diff line change
Expand Up @@ -10098,6 +10098,28 @@
"reaction_description":"AutF catalyses prenylation to nitrogen of the guanidinium moiety in arginine to yield autumnalamide A",
"status":"active",
"tailoring":"Prenylation"
},
"MITE0000482":{
"accession":"MITE0000482",
"class_name":"Ascomycota",
"cofactors_inorganic":"Cu",
"cofactors_organic":"N/A",
"domain":"Eukaryota",
"enzyme_description":"Monooxygenase, Oxidoreductase",
"enzyme_ids":{
"genpept":"BDA39150.1",
"mibig":"BGC0001398",
"uniprot":"A0A8J9RRY2"
},
"enzyme_name":"PhomQ2",
"family":"Sordariomycetes",
"kingdom":"Fungi",
"order":"Pezizomycotina",
"organism":"Diaporthe leptostromiformis",
"phylum":"Dikarya",
"reaction_description":"Hydroxylation of the tyrosine moiety",
"status":"active",
"tailoring":"Hydroxylation|Oxidation"
}
},
"version_mite_data":"1.30"
Expand Down
16 changes: 16 additions & 0 deletions mite_data/metadata/metadata_mibig.json
Original file line number Diff line number Diff line change
Expand Up @@ -3344,6 +3344,22 @@
"mite_accession":"MITE0000395",
"mite_url":"https://bioregistry.io/mite:MITE0000395",
"status":"active"
},
{
"enzyme_description":"Monooxygenase, Oxidoreductase",
"enzyme_ids":{
"genpept":"BDA39150.1",
"mibig":"BGC0001398",
"uniprot":"A0A8J9RRY2"
},
"enzyme_name":"PhomQ2",
"enzyme_refs":[
"doi:10.1002/anie.202111076"
],
"enzyme_tailoring":"Hydroxylation|Oxidation",
"mite_accession":"MITE0000482",
"mite_url":"https://bioregistry.io/mite:MITE0000482",
"status":"active"
}
],
"BGC0001435":[
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 @@ -455,3 +455,4 @@ MITE0000467,active,QXF68952.1,A0A8F4SN83
MITE0000468,active,AAK19893.1,Q9ADL7
MITE0000469,active,ADI24958.2,D7PI20
MITE0000470,active,MCW6049891.1,UPI0022389DA3
MITE0000482,active,BDA39150.1,A0A8J9RRY2
1 change: 1 addition & 0 deletions mite_data/metadata/summary.csv
Original file line number Diff line number Diff line change
Expand Up @@ -469,3 +469,4 @@ MITE0000467,active,atr2,Cytochrome P450,Hydroxylation,benzylic hydroxylation of
MITE0000468,active,SorR,Oxidoreductase,Reduction,"Possibily oxidation of soraphen x, followed by hemiacetalization to soraphen B ",NADP,N/A,Sorangium cellulosum,Bacteria,Pseudomonadati,Myxococcota,Polyangia,Polyangiales,Polyangiaceae
MITE0000469,active,GsfF,Cytochrome P450,Cyclization,"GsfF catalyzes the intramolecular coupling reaction of griseophenone B, through either a di-radical ring coupling mechanism or an arene oxide intermediate. CYP oxireductase is required.",Heme|NADP,Fe,Penicillium aethiopicum,Eukaryota,Fungi,Dikarya,Ascomycota,Pezizomycotina,Eurotiomycetes
MITE0000470,active,AutF,Prenyltransferase,Prenylation,AutF catalyses prenylation to nitrogen of the guanidinium moiety in arginine to yield autumnalamide A,N/A,N/A,Lyngbya sp. CCAP 1446/10,Bacteria,Bacillati,Cyanobacteriota,Cyanophyceae,Oscillatoriophycideae,Oscillatoriales
MITE0000482,active,PhomQ2,"Monooxygenase, Oxidoreductase",Hydroxylation|Oxidation,Hydroxylation of the tyrosine moiety,N/A,Cu,Diaporthe leptostromiformis,Eukaryota,Fungi,Dikarya,Ascomycota,Pezizomycotina,Sordariomycetes