› 1gqs

X-ray diffraction
3Å resolution

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP

Released:
DOI: 10.2210/pdb1gqs/pdb
PDB entry 1gqs coloured by chain, front view.
PDB entry 1gqs coloured by chain, side view.
PDB entry 1gqs coloured by chain, top view.
Source organism: Tetronarce californica
Primary publication:
Kinetic and structural studies on the interaction of cholinesterases with the anti-Alzheimer drug rivastigmine.
Bar-On P, Millard CB, Harel M, Dvir H, Enz A, Sussman JL, Silman I
Biochemistry 41 3555-64 (2002)
PMID: 11888271

Function and Biology Details

Reaction catalysed: 
Acetylcholine + H(2)O = choline + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137374 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholinesterase Chain: A
Molecule details ›
Chain: A
Length: 532 amino acids
Theoretical weight: 60.19 KDa
Source organism: Tetronarce californica
UniProt:
  • Canonical: P04058 (Residues: 25-556; Coverage: 94%)
Gene name: ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand NAG 2 x NAG
Ligand SAF 1 x SAF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P3121
Unit cell:
a: 111.04Å b: 111.04Å c: 137.227Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.212 0.212 0.262

Quick links

Citations

20 review citations

Cholinesterase inhibitors as Alzheimer's therapeutics (Review).
Sharma K. (2019)
19 more

7 mentions without citation

Latest advances in dual inhibitors of acetylcholinesterase and monoamine oxidase B against Alzheimer's disease.
Zou et al. (2023)
6 more