Structure of PDB 6x1o Chain C Binding Site BS03

Receptor Information
>6x1o Chain C (length=624) Species: 1185654 (Pyrococcus furiosus COM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYAYNGKLLDVDLTREKVKEVELSEDVLKKFYGGRGLGTYILWKELGEKW
EKVDPLGEENLLLILTGPLTGYYPGMKTSIVSKSPESNGVVGSVLSSELG
LELKAAGYDGIIIRGKAKSPVYLFIHNDTVEIRDATKYWGMGGIELYKTL
LKEVHEEIRKKEKLKGVPKEPAMIYIGKGGENKVRFAAIMTKLMHAAGYG
GYGAVMGSKNLKAVIAKGSGPLPEVYDKEKMKVLLREFWKELFSMTTFRE
WGTGAGGYSVGHDRSSEPIRNWQEEYHDNEEISVVNFENRTWIKKYWADY
GCPVNCMKISYLRYGPYKGSISDAPDYELQAYMGTNLGIFEPEKIVYLSY
LVDELGLDGINTGNILGFAAELYQRGILTKEDLGFELNWGDEKAFAKLLH
LIVEKEGIGKILAEGTYRAALKISEIKGIDVTKYAVHVKGIAVGAHGIRS
ELDYTKDISYAVSVQGGDHTSTAALPAKGYTGELVEAFYDSAVICNFVTK
PGFEKIIEFGNALSGFNITPEQWLNEIGLRIIHLQRILLLLGGPDVYWDP
RKDDDNPPRFYEPLPSGPVKGKAPNREDIKAKVKQYYEEIGYDEHGIPKE
EVLEELGIGEAKREVKRIKKRLNL
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6x1o Chain C Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6x1o An unprecedented function for a tungsten-containing oxidoreductase.
Resolution2.094 Å
Binding residue
(original residue number in PDB)		S96 D299 C302 C306 C495 F497 V498
Binding residue
(residue number reindexed from 1)		S96 D299 C302 C306 C495 F497 V498
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.5: aldehyde ferredoxin oxidoreductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6x1o, PDBe:6x1o, PDBj:6x1o
PDBsum6x1o
PubMed36269456
UniProtI6V2C3

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