Structure of PDB 1p9e Chain A Binding Site BS01
Receptor Information
>1p9e Chain A (length=294) Species:
165468
(Pseudomonas sp. WBC-3) [
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AAPQVRTSAPGYYRMLLGDFEITALSDGTVALPVDKRLNQPAPKTQSALA
KSFQKAPLETSVTGYLVNTGSKLVLVDTGAAGLFGPTLGRLAANLKAAGY
QPEQVDEIYITHMHPDHVGGLMVGEQLAFPNAVVRADQKEADFWLSQTNL
DKAPDDESKGFFKGAMASLNPYVKAGKFKPFSGNTDLVPGIKALASHGHT
PGHTTYVVESQGQKLALLGDLILVAAVQFDDPSVTTQLDSDSKSVAVERK
KAFADAAKGGYLIAASHLSFPGIGHIRAEGKGYRFVPVNYSVVN
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
1p9e Chain A Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
1p9e
Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
D151 H152 D255 H302
Binding residue
(residue number reindexed from 1)
D116 H117 D220 H267
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.1.8.1
: aryldialkylphosphatase.
External links
PDB
RCSB:1p9e
,
PDBe:1p9e
,
PDBj:1p9e
PDBsum
1p9e
PubMed
UniProt
Q841S6
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