Structure of PDB 7qov Chain A Binding Site BS01

Receptor Information
>7qov Chain A (length=202) Species: 33936 (Aeribacillus pallidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDPRFPHHHPRPQSFWEARAKALESLLIEKGHLSSDAIERVIKHYEHELG
PMNGAKVVAKAWTDPAFKQRLLEDSETVLRELGYYGLQGEHIRVVENTDT
VHNVVVCTLCSCYPWPLLGLPPSWYKEPAYRARVVKEPRQVLKEFGLDLP
DSVEIRVWDSSSEIRFMVLPQRPEGTEGMTEEELAKLVTRDSMIGVAKIE
PP
Ligand information
Ligand ID3CO
InChIInChI=1S/Co/q+3
InChIKeyJAWGVVJVYSANRY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Co+3]
FormulaCo
NameCOBALT (III) ION
ChEMBL
DrugBank
ZINC
PDB chain7qov Chain A Residue 301 [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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PDB7qov The wild type nitrile hydratase from Geobacillus pallidus at 1.40 Angstroms resolution
Resolution1.4 Å
Binding residue
(original residue number in PDB)		C116 A119 S120 A121
Binding residue
(residue number reindexed from 1)		C107 A110 S111 A112
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.84: nitrile hydratase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0018822 nitrile hydratase activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0080109 indole-3-acetonitrile nitrile hydratase activity

View graph for
Molecular Function
External links
PDB RCSB:7qov, PDBe:7qov, PDBj:7qov
PDBsum7qov
PubMed36106339
UniProtQ84FS5

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