› 1p6b

X-ray diffraction
1.9Å resolution

X-ray structure of phosphotriesterase, triple mutant H254G/H257W/L303T

Released:
DOI: 10.2210/pdb1p6b/pdb
PDB entry 1p6b coloured by chain, front view.
PDB entry 1p6b coloured by chain, side view.
PDB entry 1p6b coloured by chain, top view.
Source organism: Flavobacterium sp.
Primary publication:
Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site.
Hill CM, Li WS, Thoden JB, Holden HM, Raushel FM
J Am Chem Soc 125 8990-1 (2003)
PMID: 15369336

Function and Biology Details

Reaction catalysed: 
An aryl dialkyl phosphate + H(2)O = dialkyl phosphate + an aryl alcohol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141248 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Parathion hydrolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 336 amino acids
Theoretical weight: 36.33 KDa
Source organism: Flavobacterium sp.
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A433 (Residues: 30-365; Coverage: 100%)
Gene name: opd
Sequence domains: Phosphotriesterase family
Structure domains: Metal-dependent hydrolases

Ligands and Environments

3 bound ligands:
Ligand ZN 6 x ZN
Ligand EBP 2 x EBP
Ligand EFS 1 x EFS
1 modified residue:
Ligand KCX 2 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 130.4Å b: 91.9Å c: 69.7Å
α: 90° β: 90.9° γ: 90°
R-values:
R R work R free
0.179 0.176 0.231
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Destruction and detection of chemical warfare agents.
Kim et al. (2011)
12 more

5 mentions without citation

Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Tsai et al. (2012)
4 more