Structure of PDB 1p9e Chain A Binding Site BS01

Receptor Information
>1p9e Chain A (length=294) Species: 165468 (Pseudomonas sp. WBC-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAPQVRTSAPGYYRMLLGDFEITALSDGTVALPVDKRLNQPAPKTQSALA
KSFQKAPLETSVTGYLVNTGSKLVLVDTGAAGLFGPTLGRLAANLKAAGY
QPEQVDEIYITHMHPDHVGGLMVGEQLAFPNAVVRADQKEADFWLSQTNL
DKAPDDESKGFFKGAMASLNPYVKAGKFKPFSGNTDLVPGIKALASHGHT
PGHTTYVVESQGQKLALLGDLILVAAVQFDDPSVTTQLDSDSKSVAVERK
KAFADAAKGGYLIAASHLSFPGIGHIRAEGKGYRFVPVNYSVVN
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 chain1p9e Chain A 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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PDB1p9e Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3
Resolution2.4 Å
Binding residue
(original residue number in PDB)
D151 H152 D255 H302
Binding residue
(residue number reindexed from 1)
D116 H117 D220 H267
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.8.1: aryldialkylphosphatase.
External links