› 1acl

X-ray diffraction
2.8Å resolution

QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE

Released:
DOI: 10.2210/pdb1acl/pdb
PDB entry 1acl coloured by chain, front view.
PDB entry 1acl coloured by chain, side view.
PDB entry 1acl coloured by chain, top view.
Source organism: Tetronarce californica
Primary publication:
Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.
Harel M, Schalk I, Ehret-Sabatier L, Bouet F, Goeldner M, Hirth C, Axelsen PH, Silman I, Sussman JL
Proc Natl Acad Sci U S A 90 9031-5 (1993)
PMID: 8415649

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:
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: 60.79 KDa
Source organism: Tetronarce californica
Expression system: Not provided
UniProt:
  • Canonical: P04058 (Residues: 22-556; Coverage: 95%)
Gene name: ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand DME 1 x DME
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P3121
Unit cell:
a: 113.05Å b: 113.05Å c: 137.5Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.199 not available
Expression system: Not provided

Quick links

Citations

40 review citations

The growing impact of click chemistry on drug discovery.
Kolb et al. (2003)
39 more

24 mentions without citation

Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site.
Bourne et al. (2003)
23 more