Structure of PDB 6x6u Chain B Binding Site BS05

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 204 [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)		C28 H32 R42 I43 C118 D119 L120 C121 P125 C127
Binding residue
(residue number reindexed from 1)		C22 H26 R36 I37 C112 D113 L114 C115 P119 C121
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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