› 3kgg

X-ray diffraction
2.1Å resolution

X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction

Released:
DOI: 10.2210/pdb3kgg/pdb
PDB entry 3kgg coloured by chain, front view.
PDB entry 3kgg coloured by chain, side view.
PDB entry 3kgg coloured by chain, top view.
Source organism: Loligo vulgaris
Primary publication:
X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Blum MM, Tomanicek SJ, John H, Hanson BL, Rüterjans H, Schoenborn BP, Langan P, Chen JC
Acta Crystallogr Sect F Struct Biol Cryst Commun 66 379-85 (2010)
PMID: 20383004

Function and Biology Details

Reaction catalysed: 
Diisopropyl fluorophosphate + H(2)O = diisopropyl phosphate + fluoride
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181980 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Diisopropyl-fluorophosphatase Chain: A
Molecule details ›
Chain: A
Length: 314 amino acids
Theoretical weight: 35.12 KDa
Source organism: Loligo vulgaris
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7SIG4 (Residues: 1-314; Coverage: 100%)
Sequence domains: SMP-30/Gluconolactonase/LRE-like region
Structure domains: TolB, C-terminal domain

Ligands and Environments

1 bound ligand:
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 43.14Å b: 83.15Å c: 87.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.176 0.218
Expression system: Escherichia coli

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Citations

1 review citation

Enzymatic Bioremediation of Organophosphate Compounds-Progress and Remaining Challenges.
Thakur et al. (2019)
2 other articles

3 mentions without citation

Neutron structure and mechanistic studies of diisopropyl fluorophosphatase (DFPase).
Chen et al. (2010)
2 more