› 3hli

X-ray diffraction
1.4Å resolution

diisopropyl fluorophosphatase (DFPase), active site mutants

Released:
DOI: 10.2210/pdb3hli/pdb
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PDB entry 3hli coloured by chain, front view.
PDB entry 3hli coloured by chain, side view.
PDB entry 3hli coloured by chain, top view.
Source organism: Loligo vulgaris
Primary publication:
Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design.
Melzer M, Chen JC, Heidenreich A, Gäb J, Koller M, Kehe K, Blum MM
J Am Chem Soc 131 17226-32 (2009)
PMID: 19894712

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 314 amino acids
Theoretical weight: 34.96 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 8 x CA
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE BM16
Spacegroup: P21
Unit cell:
a: 66.95Å b: 74.49Å c: 118.95Å
α: 90° β: 100° γ: 90°
R-values:
R R work R free
0.205 0.205 0.221
Expression system: Escherichia coli

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Citations

9 review citations

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

1 mention without citation

Similar Active Sites and Mechanisms Do Not Lead to Cross-Promiscuity in Organophosphate Hydrolysis: Implications for Biotherapeutic Engineering.
Purg et al. (2017)

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