Structure of PDB 1ffu Chain D Binding Site BS02

Receptor Information
>1ffu Chain D (length=156) Species: 47421 (Hydrogenophaga pseudoflava) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKKIITVNVNGKAQEKAVEPRTLLIHFLREELNLTGAHIGCETSHCGACT
VDIDGRSVKSCTHLAVQCDGSEVLTVEGLANKGVLHAVQEGFYKEHGLQC
GFCTPGMLMRAYRFLQENPNPTEAEIRMGMTGNLCRCTGYQNIVKAVQYA
ARKLQE
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1ffu Chain D Residue 1910 [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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PDB1ffu The effect of intracellular molybdenum in Hydrogenophaga pseudoflava on the crystallographic structure of the seleno-molybdo-iron-sulfur flavoenzyme carbon monoxide dehydrogenase.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		C42 S45 H46 C47 G48 C50 C62
Binding residue
(residue number reindexed from 1)		C41 S44 H45 C46 G47 C49 C61
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.5.3: aerobic carbon monoxide dehydrogenase.
Gene Ontology
Molecular Function
GO:0008805 carbon-monoxide oxygenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1ffu, PDBe:1ffu, PDBj:1ffu
PDBsum1ffu
PubMed10966817
UniProtP19915|DCMS_HYDPS Carbon monoxide dehydrogenase small chain (Gene Name=cutS)

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