› 3zv7

X-ray diffraction
2.26Å resolution

Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine

Released:
DOI: 10.2210/pdb3zv7/pdb
PDB entry 3zv7 coloured by chain, front view.
PDB entry 3zv7 coloured by chain, side view.
PDB entry 3zv7 coloured by chain, top view.
Source organism: Tetronarce californica
Primary publication:
Kinetics of Torpedo californica acetylcholinesterase inhibition by bisnorcymserine and crystal structure of the complex with its leaving group.
Bartolucci C, Stojan J, Yu QS, Greig NH, Lamba D
Biochem J 444 269-77 (2012)
PMID: 22390827

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
Macromolecules (2 distinct):
Acetylcholinesterase Chain: A
Molecule details ›
Chain: A
Length: 543 amino acids
Theoretical weight: 61.33 KDa
Source organism: Tetronarce californica
UniProt:
  • Canonical: P04058 (Residues: 22-564; Coverage: 96%)
Gene name: ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
7 bound ligands:
Ligand 1PE 1 x 1PE
Ligand PEG 1 x PEG
Ligand EDO 1 x EDO
Ligand NHG 1 x NHG
Ligand MES 1 x MES
Ligand NAG 1 x NAG
Ligand CL 11 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P3121
Unit cell:
a: 111.008Å b: 111.008Å c: 137.387Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.206 0.206 0.247

Quick links

Citations

2 review citations

Inhibitors of acetylcholinesterase and butyrylcholinesterase meet immunity.
Pohanka M. (2014)
1 more

4 mentions without citation

Point mutations associated with organophosphate and carbamate resistance in Chinese strains of Culex pipiens quinquefasciatus (Diptera: Culicidae).
Zhao et al. (2014)
3 more