PDBe 3s2o

X-ray diffraction
2.6Å resolution

Fragment based discovery and optimisation of bace-1 inhibitors

Source organism: Homo sapiens

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.
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Beta-secretase 1 Chain: A
Molecule details ›
Chain: A
Length: 408 amino acids
Theoretical weight: 45.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
  • Canonical: P56817 (Residues: 48-453; Coverage: 85%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P6122
Unit cell:
a: 101.88Å b: 101.88Å c: 170.181Å
α: 90° β: 90° γ: 120°
R R work R free
0.208 0.205 0.261
Expression system: Escherichia coli BL21(DE3)