› 1p0p

X-ray diffraction
2.3Å resolution

Crystal structure of soman-aged human butyryl cholinesterase in complex with the substrate analog butyrylthiocholine

Released:
DOI: 10.2210/pdb1p0p/pdb
PDB entry 1p0p coloured by chain, front view.
PDB entry 1p0p coloured by chain, side view.
PDB entry 1p0p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products.
Nicolet Y, Lockridge O, Masson P, Fontecilla-Camps JC, Nachon F
J Biol Chem 278 41141-7 (2003)
PMID: 12869558

Function and Biology Details

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

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 (2 distinct):
Cholinesterase Chain: A
Molecule details ›
Chain: A
Length: 529 amino acids
Theoretical weight: 59.71 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
6 bound ligands:
Ligand NAG 3 x NAG
Ligand SO4 1 x SO4
Ligand CL 2 x CL
Ligand VXA 1 x VXA
Ligand BCH 1 x BCH
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: I422
Unit cell:
a: 154.924Å b: 154.924Å c: 127.909Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.199 0.242
Expression system: Cricetulus griseus

Quick links

Citations

35 review citations

Acetylcholinesterase inhibitors from plants and fungi.
Houghton et al. (2006)
34 more

47 mentions without citation

Computational redesign of human butyrylcholinesterase for anticocaine medication.
Pan et al. (2005)
46 more