› 5nap

X-ray diffraction
2.17Å resolution

Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17

Released:
DOI: 10.2210/pdb5nap/pdb
PDB entry 5nap coloured by chain, front view.
PDB entry 5nap coloured by chain, side view.
PDB entry 5nap coloured by chain, top view.
Source organism: Tetronarce californica
Primary publication:
Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
Caliandro R, Pesaresi A, Cariati L, Procopio A, Oliverio M, Lamba D
OpenAccess logo J Enzyme Inhib Med Chem 33 794-803 (2018)
PMID: 29651884

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-137375 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Acetylcholinesterase Chain: A
Molecule details ›
Chain: A
Length: 543 amino acids
Theoretical weight: 61.33 KDa
Source organism: Tetronarce californica
UniProt:
  • Canonical: P04058 (Residues: 22-564; Coverage: 96%)
Gene name: ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
1 bound ligand:
Ligand DZ7 1 x DZ7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P3121
Unit cell:
a: 111.53Å b: 111.53Å c: 136.88Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.17 0.21

Quick links

Citations

5 citation in other articles

Novel Hydroxytyrosol-Donepezil Hybrids as Potential Antioxidant and Neuroprotective Agents.
Costanzo et al. (2021)
4 more

3 mentions without citation

Chemical characterization and evaluation of the neuroprotective potential of Indigofera sessiliflora through in-silico studies and behavioral tests in scopolamine-induced memory compromised rats.
Sajjad Haider et al. (2021)
2 more