› 2j4c

X-ray diffraction
2.75Å resolution

Structure of human Butyrylcholinesterase in complex with 10mM HgCl2

Released:
DOI: 10.2210/pdb2j4c/pdb
PDB entry 2j4c coloured by chain, front view.
PDB entry 2j4c coloured by chain, side view.
PDB entry 2j4c coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanisms of cholinesterase inhibition by inorganic mercury.
Frasco MF, Colletier JP, Weik M, Carvalho F, Guilhermino L, Stojan J, Fournier D
FEBS J 274 1849-61 (2007)
PMID: 17355286

Function and Biology Details

Reaction catalysed: 
An acylcholine + H(2)O = choline + a carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138982 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Cholinesterase Chain: A
Molecule details ›
Chain: A
Length: 529 amino acids
Theoretical weight: 59.69 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P06276 (Residues: 29-557; Coverage: 92%)
Gene names: BCHE, CHE1
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
7 bound ligands:
Ligand NAG 3 x NAG
Ligand CL 3 x CL
Ligand HG 4 x HG
Ligand SO4 2 x SO4
Ligand GOL 3 x GOL
Ligand BUA 1 x BUA
Ligand MES 1 x MES
1 modified residue:
Ligand CSS 1 x CSS

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU R-AXIS IV
Spacegroup: I422
Unit cell:
a: 153.76Å b: 153.76Å c: 128.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.184 0.231
Expression system: Cricetulus griseus

Quick links

Citations

1 review citation

The progress in the cholinesterase quantification methods.
Holas et al. (2012)
34 other articles

4 mentions without citation

Computer Aided Drug Design Methodologies with Natural Products in the Drug Research Against Alzheimer's Disease.
de Sousa et al. (2022)
3 more