› 5fkj

X-ray diffraction
3.13Å resolution

Crystal structure of mouse acetylcholinesterase in complex with C-547, an alkyl ammonium derivative of 6-methyl uracil

Released:
DOI: 10.2210/pdb5fkj/pdb
PDB entry 5fkj coloured by chain, front view.
PDB entry 5fkj coloured by chain, side view.
PDB entry 5fkj coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Slow-binding inhibition of acetylcholinesterase by an alkylammonium derivative of 6-methyluracil: mechanism and possible advantages for myasthenia gravis treatment.
Kharlamova AD, Lushchekina SV, Petrov KA, Kots ED, Nachon F, Villard-Wandhammer M, Zueva IV, Krejci E, Reznik VS, Zobov VV, Nikolsky EE, Masson P
Biochem J 473 1225-36 (2016)
PMID: 26929400

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 G0W 4 x G0W
Ligand NAG 6 x NAG
Ligand CL 28 x CL
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 137.15Å b: 175.45Å c: 224.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.207 0.249
Expression system: Cricetulus griseus

Quick links

Citations

2 review citations

A Comprehensive Review of Cholinesterase Modeling and Simulation.
De Boer et al. (2021)
1 more