› 1zgc

X-ray diffraction
2.1Å resolution

Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.

Released:
DOI: 10.2210/pdb1zgc/pdb
PDB entry 1zgc coloured by chain, front view.
PDB entry 1zgc coloured by chain, side view.
PDB entry 1zgc coloured by chain, top view.
Source organism: Tetronarce californica
Primary publication:
Crystal packing mediates enantioselective ligand recognition at the peripheral site of acetylcholinesterase.
Haviv H, Wong DM, Greenblatt HM, Carlier PR, Pang YP, Silman I, Sussman JL
J Am Chem Soc 127 11029-36 (2005)
PMID: 16076210

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 Chains: A, B
Molecule details ›
Chains: A, B
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

2 bound ligands:
Ligand NAG 5 x NAG
Ligand A2E 2 x A2E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 90.996Å b: 105.543Å c: 150.448Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.196 0.247

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Citations

1 review citation

Structural biology in plant natural product biosynthesis--architecture of enzymes from monoterpenoid indole and tropane alkaloid biosynthesis.
Stöckigt et al. (2007)
12 other articles

9 mentions without citation

An overview on the synthesis of carbohydrate-based molecules with biological activity related to neurodegenerative diseases.
Lopes et al. (2021)
8 more