Structure of PDB 4lef Chain H Binding Site BS02

Receptor Information
>4lef Chain H (length=290) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDPTGYTLAHEHLHIDLSGFKNNVDCRLDQYAFICQEMNDLMTRGVRNVI
EMTNRYMGRNAQFMLDVMRETGINVVACTGYYQDAFFPEHVATRSVQELA
QEMVDEIEQGIDGTELKAGIIAEIGTSEGKITPLEEKVFIAAALAHNQTG
RPISTHTSFSTMGLEQLALLQAHGVDLSRVTVGHCDLKDNLDNILKMIDL
GAYVQFDTIGKNSYYPDEKRIAMLHALRDRGLLNRVMLSMDITRRSHLKA
NGGYGYDYLLTTFIPQLRQSGFSQADVDVMLRENPSQFFQ
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 chain4lef Chain H Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lef Crystal structure of PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI complexed with phosphate in active site
Resolution1.842 Å
Binding residue
(original residue number in PDB)		E125 H158 H186
Binding residue
(residue number reindexed from 1)		E123 H156 H184
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H12 H14 E125 H158 H186 L189 T210 D243
Catalytic site (residue number reindexed from 1) H10 H12 E123 H156 H184 L187 T208 D241
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4lef, PDBe:4lef, PDBj:4lef
PDBsum4lef
PubMed
UniProtP45548|PHP_ECOLI Phosphotriesterase homology protein (Gene Name=php)

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