Structure of PDB 4o98 Chain A Binding Site BS02

Receptor Information
>4o98 Chain A (length=306) Species: 301 (Pseudomonas oleovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APAQQKTQVPGYYRMALGDFEVTALYDGYVDLPASLLKGIDDKDLQSLLA
RMFVASEKGVQTAVNAYLINTGDNLVLIDTGAAQCFGPTLGVVQTNLKAS
GYQPEQVDTVLLTHLHPDHACGLVNADGSPAYPNATVEVPQAEAEFWLDE
ATMAKAPEGMQGMFKMARQAVAPYAKMNKLKPYKTEGELLPGVSLVASSG
HTPGHTSYLFKSGGQSLLVWGDILINHAVQFAKPEVVWEFDVDSDQARQS
RQRILAEAATDKLWVAGAHLPFPGLGHVREEAQGYAWVPVEFSPIRSDRK
LAAALE
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 chain4o98 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4o98 Switching a newly discovered lactonase into an efficient and thermostable phosphotriesterase by simple double mutations His250Ile/Ile263Trp
Resolution2.251 Å
Binding residue
(original residue number in PDB)		H139 H141 H226 D247
Binding residue
(residue number reindexed from 1)		H114 H116 H201 D222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links