› 5hq3

X-ray diffraction
2.6Å resolution

Stable, high-expression variant of human acetylcholinesterase

Released:
DOI: 10.2210/pdb5hq3/pdb
PDB entry 5hq3 coloured by chain, front view.
PDB entry 5hq3 coloured by chain, side view.
PDB entry 5hq3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Goldenzweig A, Goldsmith M, Hill SE, Gertman O, Laurino P, Ashani Y, Dym O, Unger T, Albeck S, Prilusky J, Lieberman RL, Aharoni A, Silman I, Sussman JL, Tawfik DS, Fleishman SJ
Mol Cell 63 337-346 (2016)
PMID: 27425410

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149583 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Acetylcholinesterase Chain: A
Molecule details ›
Chain: A
Length: 548 amino acids
Theoretical weight: 61.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22303 (Residues: 32-578; Coverage: 94%)
Gene name: ACHE
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase
Acetylcholinesterase Chain: B
Molecule details ›
Chain: B
Length: 549 amino acids
Theoretical weight: 61.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22303 (Residues: 32-579; Coverage: 94%)
Gene name: ACHE
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand VX 2 x VX
Ligand MES 2 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P43212
Unit cell:
a: 89.534Å b: 89.534Å c: 395.305Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.201 0.253
Expression system: Escherichia coli

Quick links

Citations

33 review citations

Advances in protein structure prediction and design.
Kuhlman et al. (2019)
32 more

3 mentions without citation

Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Goldenzweig et al. (2016)
2 more