Structure of PDB 5zmy Chain E Binding Site BS02

Receptor Information
>5zmy Chain E (length=278) Species: 454599 (Bordetella sp. BK-52) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTKLILEARINEYMPRRGNPHVPWTPKEIGEAAAQAREAGASIVHFHARQ
ADGSPSHDYETYAESIREIRARSDVLVHPTLAHIERLCLDPALKPDFAPV
ALGSTNIDRYDDVEKRYETGDRVYLNNIDTLQHFSKRLRELGVKPAFIAW
TVPFTRTLDAFMDMGLVDDPAYLLFELTDCGIRGGHPGTIRGLRAHTDFL
PPGRQIQWTVCNKIGNLFGPAAAAIEEGGHVAIGLGDYLYPELGTPTNGE
VVQTVANMARAMGREIATPAETKEILGI
Ligand information
Ligand IDTAR
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
InChIKeyFEWJPZIEWOKRBE-LWMBPPNESA-N
SMILES
SoftwareSMILES
CACTVS 3.352O[C@@H]([C@H](O)C(O)=O)C(O)=O
ACDLabs 11.02O=C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)O)(C(=O)O)O
CACTVS 3.352O[CH]([CH](O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
FormulaC4 H6 O6
NameD(-)-TARTARIC ACID
ChEMBLCHEMBL1200861
DrugBankDB01694
ZINCZINC000000895296
PDB chain5zmy Chain E Residue 401 [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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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)		R31 E34 H67 H69 T102 E210 K247
Binding residue
(residue number reindexed from 1)		R9 E12 H45 H47 T80 E176 K213
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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