› 3dkk

X-ray diffraction
2.31Å resolution

Aged Form of Human Butyrylcholinesterase Inhibited by Tabun

Released:
DOI: 10.2210/pdb3dkk/pdb
PDB entry 3dkk coloured by chain, front view.
PDB entry 3dkk coloured by chain, side view.
PDB entry 3dkk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Aging of cholinesterases phosphylated by tabun proceeds through O-dealkylation.
Carletti E, Li H, Li B, Ekström F, Nicolet Y, Loiodice M, Gillon E, Froment MT, Lockridge O, Schopfer LM, Masson P, Nachon F
J Am Chem Soc 130 16011-20 (2008)
PMID: 18975951

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

Assemblies composition:
monomeric (preferred)
homo octamer
Assembly name:
PDBe Complex ID:
PDB-CPX-138982 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Cholinesterase Chain: A
Molecule details ›
Chain: A
Length: 529 amino acids
Theoretical weight: 59.82 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, FUL
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUL
Carbohydrate polymer
4 bound ligands:
Ligand NAG 3 x NAG
Ligand CL 2 x CL
Ligand NA 1 x NA
Ligand SO4 1 x SO4
1 modified residue:
Ligand SEN 1 x SEN

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: I422
Unit cell:
a: 155.24Å b: 155.24Å c: 127.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.197 0.251
Expression system: Cricetulus griseus

Quick links

Citations

4 review citations

Destruction and detection of chemical warfare agents.
Kim et al. (2011)
3 more