› 2xug

X-ray diffraction
2.6Å resolution

Crystal structure of mAChE-Y337A-TZ2PA6 anti complex (1 wk)

Released:
DOI: 10.2210/pdb2xug/pdb
PDB entry 2xug coloured by chain, front view.
PDB entry 2xug coloured by chain, side view.
PDB entry 2xug 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: 544 amino acids
Theoretical weight: 59.74 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 2 x NAG
Ligand P6G 1 x P6G
Ligand TZ4 2 x TZ4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 79.463Å b: 111.7Å c: 227.463Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.192 0.233
Expression system: Homo sapiens

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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)