Structure of PDB 5zmy Chain B Binding Site BS01

Receptor Information
>5zmy Chain B (length=279) Species: 454599 (Bordetella sp. BK-52) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTKLILEARINEYMPRRGNPHVPWTPKEIGEAAAQAREAGASIVHFHARQ
ADGSPSHDYETYAESIREIRARSDVLVHPTLLAHIERLCLDPALKPDFAP
VALGSTNIDRYDDVEKRYETGDRVYLNNIDTLQHFSKRLRELGVKPAFIA
WTVPFTRTLDAFMDMGLVDDPAYLLFELTDCGIRGGHPGTIRGLRAHTDF
LPPGRQIQWTVCNKIGNLFGPAAAAIEEGGHVAIGLGDYLYPELGTPTNG
EVVQTVANMARAMGREIATPAETKEILGI
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5zmy Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zmy Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure d(-)-tartaric acid.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		E34 H67 H69
Binding residue
(residue number reindexed from 1)		E12 H45 H47
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0043720 3-keto-5-aminohexanoate cleavage activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5zmy, PDBe:5zmy, PDBj:5zmy
PDBsum5zmy
PubMed30003205
UniProtF1LJ99

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