Structure of PDB 1n63 Chain A Binding Site BS01

Receptor Information
>1n63 Chain A (length=160) 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
AAKINGVPFE
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 chain1n63 Chain A Residue 3907 [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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PDB1n63 Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Resolution1.21 Å
Binding residue
(original residue number in PDB)		C102 G103 C105 C137 C139
Binding residue
(residue number reindexed from 1)		C100 G101 C103 C135 C137
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:1n63, PDBe:1n63, PDBj:1n63
PDBsum1n63
PubMed12475995
UniProtP19921|DCMS_AFIC5 Carbon monoxide dehydrogenase small chain (Gene Name=coxS)

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