PDBe 1fkn

X-ray diffraction
1.9Å resolution

Structure of Beta-Secretase Complexed with Inhibitor

Released:

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:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
inhibitor Chains: C, D
Molecule details ›
Chains: C, D
Length: 7 amino acids
Theoretical weight: 893 Da
Source organism: Synthetic construct
Expression system: Not provided
Beta-secretase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 391 amino acids
Theoretical weight: 43.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 56-446; Coverage: 82%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

No bound ligands

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 53.652Å b: 85.853Å c: 109.237Å
α: 90° β: 101.36° γ: 90°
R-values:
R R work R free
0.18 0.18 0.224
Expression systems:
  • Not provided
  • Escherichia coli