› 2jez

X-ray diffraction
2.6Å resolution

Mus musculus acetylcholinesterase in complex with tabun and HLo-7

Released:
DOI: 10.2210/pdb2jez/pdb
PDB entry 2jez coloured by chain, front view.
PDB entry 2jez coloured by chain, side view.
PDB entry 2jez coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Novel nerve-agent antidote design based on crystallographic and mass spectrometric analyses of tabun-conjugated acetylcholinesterase in complex with antidotes.
Ekström FJ, Astot C, Pang YP
Clin Pharmacol Ther 82 282-93 (2007)
PMID: 17443135

Function and Biology Details

Reaction catalysed: 
Acetylcholine + H(2)O = choline + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149441 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 548 amino acids
Theoretical weight: 60.37 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
UniProt:
  • Canonical: P21836 (Residues: 32-576; Coverage: 94%)
Gene name: Ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand HLO 2 x HLO
Ligand P6G 1 x P6G
1 modified residue:
Ligand SUN 2 x SUN

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I711
Spacegroup: P212121
Unit cell:
a: 76.92Å b: 108.94Å c: 220.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.192 0.243
Expression system: Homo sapiens

Quick links

Citations

4 review citations

Destruction and detection of chemical warfare agents.
Kim et al. (2011)
3 more

2 mentions without citation

Limitations in current acetylcholinesterase structure-based design of oxime antidotes for organophosphate poisoning.
Kovalevsky et al. (2016)
1 more