Structure of PDB 7qop Chain A Binding Site BS01

Receptor Information
>7qop 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]
IDPRFPHHHPRPQSFWEARAKALESLLIEKGHLSSDASERVIKHYEHELG
PMNGAKVVAKAWTDPAFKQRLLEDSETVLRELGYYGLQGEHIRVVENTDT
VHNVVVCTLCSCYPWPLLGLPPSWYKEPAYRARVVKEPRQVLKEFGLDLP
DSVEIRVWDSSSEIRFMVLPQRPEGTEGMTEEELAKLVTRDSMIGVAKIE
PP
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain7qop Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qop A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
Resolution1.8 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:7qop, PDBe:7qop, PDBj:7qop
PDBsum7qop
PubMed36106339
UniProtQ84FS5

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