PDBe 2ohn

X-ray diffraction
2.15Å resolution

X-ray crystal structure of beta secretase complexed with 4-(4-fluorobenzyl)piperidine

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:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-secretase 1 Chain: A
Molecule details ›
Chain: A
Length: 402 amino acids
Theoretical weight: 44.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P56817 (Residues: 45-446; Coverage: 84%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P6122
Unit cell:
a: 102.388Å b: 102.388Å c: 170.232Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.231 0.228 0.285
Expression system: Escherichia coli BL21(DE3)