› 4bc0

X-ray diffraction
3.35Å resolution

Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct

Released:
DOI: 10.2210/pdb4bc0/pdb
PDB entry 4bc0 coloured by chain, front view.
PDB entry 4bc0 coloured by chain, side view.
PDB entry 4bc0 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Inhibition pathways of the potent organophosphate CBDP with cholinesterases revealed by X-ray crystallographic snapshots and mass spectrometry.
Carletti E, Colletier JP, Schopfer LM, Santoni G, Masson P, Lockridge O, Nachon F, Weik M
Chem Res Toxicol 26 280-9 (2013)
PMID: 23339663

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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 543 amino acids
Theoretical weight: 59.76 KDa
Source organism: Mus musculus
Expression system: Cricetulus griseus
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 4OJ 4 x 4OJ
Ligand NAG 7 x NAG
Ligand SO4 13 x SO4
Ligand CL 8 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 136.94Å b: 174.04Å c: 225.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.162 0.208
Expression system: Cricetulus griseus

Quick links

Citations

1 review citation

Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase.
Franjesevic et al. (2019)
17 other articles

1 mention without citation

Segmental helical motions and dynamical asymmetry modulate histidine kinase autophosphorylation.
Mechaly et al. (2014)