› 3o4p

X-ray diffraction
0.85Å resolution

DFPase at 0.85 Angstrom resolution (H atoms included)

Released:
DOI: 10.2210/pdb3o4p/pdb
PDB entry 3o4p coloured by chain, front view.
PDB entry 3o4p coloured by chain, side view.
PDB entry 3o4p coloured by chain, top view.
Source organism: Loligo vulgaris
Primary publication:
Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase.
Elias M, Liebschner D, Koepke J, Lecomte C, Guillot B, Jelsch C, Chabriere E
BMC Res Notes 6 308 (2013)
PMID: 23915572

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

9 bound ligands:
Ligand GOL 2 x GOL
Ligand MES 2 x MES
Ligand EDO 8 x EDO
Ligand PGE 2 x PGE
Ligand DXE 2 x DXE
Ligand MXE 2 x MXE
Ligand PEG 2 x PEG
Ligand ME2 1 x ME2
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P212121
Unit cell:
a: 43.114Å b: 81.849Å c: 86.467Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.103 0.103 0.121
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides.
Schilter et al. (2016)
3 more

7 mentions without citation

Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase.
Elias et al. (2013)
6 more