Structure of PDB 4uxa Chain A Binding Site BS01

Receptor Information
>4uxa Chain A (length=131) Species: 940615 (Granulicella tundricola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIKRVGSQASGKGPADWFTGTVRIDPLFQAPDPALVAGHSTTFEPGART
AWHTHPLGQTLIVTAGCGWAQREGGAVEEIHPGDVVWFSPGEKHWHGAAP
TTAMTHLAIHERLDGKAVDWMEHVTDEQYRR
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4uxa Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uxa Improving the Properties of Bacterial R-Selective Hydroxynitrile Lyases for Industrial Applications
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H53 H55 Q59 H94 H96
Binding residue
(residue number reindexed from 1)		H53 H55 Q59 H94 H96
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.10: (R)-mandelonitrile lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4uxa, PDBe:4uxa, PDBj:4uxa
PDBsum4uxa
PubMed
UniProtE8WYN5|MDL_GRATM (R)-mandelonitrile lyase (Gene Name=AciX9_0562)

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