› 2gyv

X-ray diffraction
2.5Å resolution

Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7

Released:
DOI: 10.2210/pdb2gyv/pdb
PDB entry 2gyv coloured by chain, front view.
PDB entry 2gyv coloured by chain, side view.
PDB entry 2gyv coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: structural basis for differences in the ability to reactivate tabun conjugates.
Ekström F, Pang YP, Boman M, Artursson E, Akfur C, Börjegren S
Biochem Pharmacol 72 597-607 (2006)
PMID: 16876764

Function and Biology Details

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

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: 543 amino acids
Theoretical weight: 59.76 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
UniProt:
  • Canonical: P21836 (Residues: 32-574; Coverage: 93%)
Gene name: Ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

4 bound ligands:
Ligand NAG 2 x NAG
Ligand CO3 2 x CO3
Ligand HBP 2 x HBP
Ligand P3G 1 x P3G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I711
Spacegroup: P212121
Unit cell:
a: 76.73Å b: 108.58Å c: 220.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.197 0.241
Expression system: Homo sapiens

Quick links

Citations

4 review citations

The value of novel oximes for treatment of poisoning by organophosphorus compounds.
Worek et al. (2013)
3 more

4 mentions without citation

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