› 5lkr

X-ray diffraction
2.52Å resolution

Human Butyrylcholinesterase complexed with N-Propargyliperidines

Released:
DOI: 10.2210/pdb5lkr/pdb
PDB entry 5lkr coloured by chain, front view.
PDB entry 5lkr coloured by chain, side view.
PDB entry 5lkr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.
Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S
Bioorg Med Chem 25 633-645 (2017)
PMID: 27908752

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 (4 distinct):
Cholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 574 amino acids
Theoretical weight: 65.15 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P06276 (Residues: 29-602; Coverage: 100%)
Gene names: BCHE, CHE1
Sequence domains:
Structure domains: alpha/beta hydrolase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUL
Carbohydrate polymer
5 bound ligands:
Ligand NAG 8 x NAG
Ligand FUL 1 x FUL
Ligand GOL 3 x GOL
Ligand 6YC 2 x 6YC
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-1
Spacegroup: P212121
Unit cell:
a: 73.681Å b: 79.463Å c: 228.869Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.238
Expression system: Cricetulus griseus

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Citations

1 review citation

Pharmaceutical and medicinal significance of sulfur (SVI)-Containing motifs for drug discovery: A critical review.
Zhao et al. (2019)
13 other articles

4 mentions without citation

Sterculia tragacantha Lindl Leaf Extract Ameliorates STZ-Induced Diabetes, Oxidative Stress, Inflammation and Neuronal Impairment.
Onikanni et al. (2021)
3 more