› 3cib

X-ray diffraction
1.72Å resolution

Function and Biology Details

Reaction catalysed: 
Broad endopeptidase specificity. Cleaves Glu-Val-Asn-Leu-|-Asp-Ala-Glu-Phe in the Swedish variant of Alzheimer's amyloid precursor protein.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157541 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-secretase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 390 amino acids
Theoretical weight: 43.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P56817 (Residues: 58-447; Coverage: 81%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand 314 2 x 314
Ligand TAR 2 x TAR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P212121
Unit cell:
a: 86.677Å b: 89.435Å c: 131.446Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.188 0.216
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

Recent advances in the multitarget-directed ligands approach for the treatment of Alzheimer's disease.
León et al. (2013)
7 more

5 mentions without citation

Flavonoids lower Alzheimer's Aβ production via an NFκB dependent mechanism.
Paris et al. (2011)
4 more