› 5fum

X-ray diffraction
2.5Å resolution

Mus musculus acetylcholinesterase in complex with AL200

Released:
DOI: 10.2210/pdb5fum/pdb
PDB entry 5fum coloured by chain, front view.
PDB entry 5fum coloured by chain, side view.
PDB entry 5fum coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Discovery of selective inhibitors targeting acetylcholinesterase 1 from disease-transmitting mosquitoes.
Engdahl C, Knutsson S, Ekstr��m FJ, Linusson A
J. Med. Chem. (2016)
PMID: 27598521

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
Molecule details ›
Chains: A, B
Length: 548 amino acids
Theoretical weight: 60.23 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

3 bound ligands:
Ligand SOF 2 x SOF
Ligand PG0 5 x PG0
Ligand PE4 1 x PE4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-2
Spacegroup: P212121
Unit cell:
a: 78.66Å b: 110.757Å c: 227.571Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.196 0.226
Expression system: Homo sapiens

Quick links

Citations

2 review citations

Potential of Essential Oil-Based Anticholinesterase Insecticides against Anopheles Vectors: A Review.
Rants'o et al. (2022)
1 more

2 mentions without citation

Chemical Constituents from the Wild Atractylodes macrocephala Koidz and Acetylcholinesterase Inhibitory Activity Evaluation as Well as Molecular Docking Study.
Zhu et al. (2021)
1 more