› 2w6c

X-ray diffraction
2.69Å resolution

ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE

Released:
DOI: 10.2210/pdb2w6c/pdb
PDB entry 2w6c coloured by chain, front view.
PDB entry 2w6c coloured by chain, side view.
PDB entry 2w6c coloured by chain, top view.
Source organism: Tetronarce californica
Primary publication:
The crystal structure of a complex of acetylcholinesterase with a bis-(-)-nor-meptazinol derivative reveals disruption of the catalytic triad.
Paz A, Xie Q, Greenblatt HM, Fu W, Tang Y, Silman I, Qiu Z, Sussman JL
J Med Chem 52 2543-9 (2009)
PMID: 19326912

Function and Biology Details

Reaction catalysed: 
Acetylcholine + H(2)O = choline + acetate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137374 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Acetylcholinesterase Chain: X
Molecule details ›
Chain: X
Length: 586 amino acids
Theoretical weight: 65.97 KDa
Source organism: Tetronarce californica
UniProt:
  • Canonical: P04058 (Residues: 1-586; Coverage: 100%)
Gene name: ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
2 bound ligands:
Ligand BM4 1 x BM4
Ligand NAG 2 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P3121
Unit cell:
a: 112.172Å b: 112.172Å c: 137.568Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.188 0.185 0.235

Quick links

Citations

2 review citations

Recent advances in the multitarget-directed ligands approach for the treatment of Alzheimer's disease.
León et al. (2013)
1 more

4 mentions without citation

Mutations in Caenorhabditis elegans neuroligin-like glit-1, the apoptosis pathway and the calcium chaperone crt-1 increase dopaminergic neurodegeneration after 6-OHDA treatment.
Offenburger et al. (2018)
3 more