Structure of PDB 1n5w Chain A Binding Site BS02

Receptor Information
>1n5w Chain A (length=161) Species: 504832 (Afipia carboxidovorans OM5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAHIELTINGHPVEALVEPRTLLIHFIREQQNLTGAHIGCDTSHCGACTV
DLDGMSVKSCTMFAVQANGASITTIEGMAAPDGTLSALQEGFRMMHGLQC
GYCTPGMIMRSHRLLQENPSPTEAEIRFGIGGNLCRCTGYQNIVKAIQYA
AAKINGVPFEE
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 chain1n5w Chain A Residue 3908 [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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PDB1n5w Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Resolution1.5 Å
Binding residue
(original residue number in PDB)		I40 G41 C42 S45 C47 G48 C50 C62
Binding residue
(residue number reindexed from 1)		I38 G39 C40 S43 C45 G46 C48 C60
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:1n5w, PDBe:1n5w, PDBj:1n5w
PDBsum1n5w
PubMed12475995
UniProtP19921|DCMS_AFIC5 Carbon monoxide dehydrogenase small chain (Gene Name=coxS)

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