Structure of PDB 6x6u Chain B Binding Site BS02

Receptor Information
>6x6u Chain B (length=167) Species: 1185654 (Pyrococcus furiosus COM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERIWILITPDKCSGCRLCEVTCSLEHEGIIWPEASRIRVFELFPGINVPH
TCVQCPDYPCVNACPTNALSVDEKTGAVVVNEEKCITCGACVLACPGKVP
RIPAGKGSVVICDLCGGNPKCVEICHEAGHDALKIVTGNYRPIYRTFAKD
PQEKSLDIARKVFGEDF
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 chain6x6u Chain B Residue 201 [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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PDB6x6u An unprecedented function for a tungsten-containing oxidoreductase.
Resolution1.944 Å
Binding residue
(original residue number in PDB)		C18 S19 C21 R22 C24 V45 C131 H136 L139
Binding residue
(residue number reindexed from 1)		C12 S13 C15 R16 C18 V39 C125 H130 L133
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6x6u, PDBe:6x6u, PDBj:6x6u
PDBsum6x6u
PubMed36269456
UniProtI6U881

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