› 5bwb

X-ray diffraction
2.57Å resolution

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA IN COMPLEX WITH THE BIS-IMIDAZOLIUM OXIME 2BIM-7

Released:
DOI: 10.2210/pdb5bwb/pdb
PDB entry 5bwb coloured by chain, front view.
PDB entry 5bwb coloured by chain, side view.
PDB entry 5bwb coloured by chain, top view.
Source organism: Tetronarce californica
Primary publication:
A conformational change in the peripheral anionic site of Torpedo californica acetylcholinesterase induced by a bis-imidazolium oxime.
Legler PM, Soojhawon I, Millard CB
Acta Crystallogr D Biol Crystallogr 71 1788-98 (2015)
PMID: 26327369

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-137375 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholinesterase Chain: A
Molecule details ›
Chain: A
Length: 537 amino acids
Theoretical weight: 60.74 KDa
Source organism: Tetronarce californica
UniProt:
  • Canonical: P04058 (Residues: 22-558; Coverage: 95%)
Gene name: ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand NAG 2 x NAG
Ligand MES 1 x MES
Ligand 4VV 1 x 4VV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P3121
Unit cell:
a: 112.303Å b: 112.303Å c: 137.114Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.209 0.242

Quick links

Citations

1 review citation

Cholinesterase reactivators and bioscavengers for pre- and post-exposure treatments of organophosphorus poisoning.
Masson et al. (2017)
2 other articles

1 mention without citation

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