Structure of PDB 4xuk Chain B Binding Site BS01

Receptor Information
>4xuk Chain B (length=291) Species: 1071390 (Acinetobacter sp. NBRC 100985) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQVAGYYQYQAGDVQITALLDGTNFMSPNLFKDIPQQQVHEILKKYYADQ
EKGVQTSINAFLVNIGKSLILIDSGAASCFGSHLGSVLSNLKASGYQPEQ
VDTILLTHLHPDHVCGISKDGVANFPNATVYVSNDEASFWLDPKQAAKLP
KEKQANYLGTVEKIKQAIAPYQAKQRFKTYKLGDDIQGFKVINTAGHTPG
HFSYELKTKGESIVFIGDIVHSHTVQFDRPETAIEYDIDPKKAVETRLKQ
FANFAKNGQTIAAPHLPFPGIGHTYSADGKSYQWIPIHFKD
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 chain4xuk Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xuk Marked enhancement of Acinetobacter sp. organophosphorus hydrolase activity by a single residue substitution Ile211Ala
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D159 H160 D265 H312
Binding residue
(residue number reindexed from 1)		D112 H113 D218 H265
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4xuk, PDBe:4xuk, PDBj:4xuk
PDBsum4xuk
PubMed
UniProtG7GD18

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