› 4zsu

X-ray diffraction
2.01Å resolution

Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG

Released:
DOI: 10.2210/pdb4zsu/pdb
PDB entry 4zsu coloured by chain, front view.
PDB entry 4zsu coloured by chain, side view.
PDB entry 4zsu coloured by chain, top view.
Source organism: Brevundimonas diminuta
Primary publication:
Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Bigley AN, Mabanglo MF, Harvey SP, Raushel FM
Biochemistry 54 5502-12 (2015)
PMID: 26274608

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: 337 amino acids
Theoretical weight: 36.54 KDa
Source organism: Brevundimonas diminuta
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A434 (Residues: 30-365; Coverage: 100%)
Gene name: opd
Sequence domains: Phosphotriesterase family
Structure domains: Metal-dependent hydrolases

Ligands and Environments

1 bound ligand:
Ligand CO 4 x CO
1 modified residue:
Ligand KCX 2 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 45.485Å b: 80.634Å c: 78.839Å
α: 90° β: 106.94° γ: 90°
R-values:
R R work R free
0.14 0.135 0.184
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Cholinesterase reactivators and bioscavengers for pre- and post-exposure treatments of organophosphorus poisoning.
Masson et al. (2017)
6 more