PDBe 4xii

X-ray diffraction
2.7Å resolution

X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cholinesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 544 amino acids
Theoretical weight: 61.49 KDa
Source organism: Homo sapiens
Expression system: Insect cell expression vector pTIE1
UniProt:
  • Canonical: P06276 (Residues: 29-572; Coverage: 95%)
Gene names: BCHE, CHE1
Sequence domains: Carboxylesterase family
Structure domains: Rossmann fold

Ligands and Environments


No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 77.04Å b: 79.76Å c: 230.86Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.256
Expression system: Insect cell expression vector pTIE1