› 2xuj

X-ray diffraction
2.65Å resolution

CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 MTH)

Released:
DOI: 10.2210/pdb2xuj/pdb
PDB entry 2xuj coloured by chain, front view.
PDB entry 2xuj coloured by chain, side view.
PDB entry 2xuj coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Conformational remodeling of femtomolar inhibitor-acetylcholinesterase complexes in the crystalline state.
Bourne Y, Radić Z, Taylor P, Marchot P
J Am Chem Soc 132 18292-300 (2010)
PMID: 21090615

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-149441 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 543 amino acids
Theoretical weight: 59.67 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
UniProt:
  • Canonical: P21836 (Residues: 32-574; Coverage: 93%)
Gene name: Ache
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand NAG 1 x NAG
Ligand P6G 1 x P6G
Ligand TZ5 2 x TZ5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P212121
Unit cell:
a: 79.191Å b: 112.741Å c: 226.067Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.207 0.25
Expression system: Homo sapiens

Quick links

Citations

2 review citations

Tailored therapeutics based on 1,2,3-1H-triazoles: a mini review.
Prasher et al. (2019)
1 more

1 mention without citation

Conformational remodeling of femtomolar inhibitor-acetylcholinesterase complexes in the crystalline state.
Bourne et al. (2010)