› 3ur5

X-ray diffraction
1.6Å resolution

Crystal Structure of PTE mutant K185R/I274N

Released:
DOI: 10.2210/pdb3ur5/pdb
PDB entry 3ur5 coloured by chain, front view.
PDB entry 3ur5 coloured by chain, side view.
PDB entry 3ur5 coloured by chain, top view.
Source organism: Brevundimonas diminuta
Primary publication:
Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Tsai PC, Fox N, Bigley AN, Harvey SP, Barondeau DP, Raushel FM
Biochemistry 51 6463-75 (2012)
PMID: 22809162

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 analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141251 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Parathion hydrolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 327 amino acids
Theoretical weight: 35.56 KDa
Source organism: Brevundimonas diminuta
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A434 (Residues: 35-361; Coverage: 97%)
Gene name: opd
Sequence domains: Phosphotriesterase family
Structure domains: Metal-dependent hydrolases

Ligands and Environments

2 bound ligands:
Ligand DPF 2 x DPF
Ligand CO 5 x CO
1 modified residue:
Ligand KCX 2 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P21212
Unit cell:
a: 85.483Å b: 85.985Å c: 88.006Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.209 0.228
Expression system: Escherichia coli BL21(DE3)

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Citations

9 review citations

Progress in the development of enzyme-based nerve agent bioscavengers.
Nachon et al. (2013)
8 more

2 mentions without citation

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