PDBe 4gid

X-ray diffraction
2Å 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:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-secretase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 388 amino acids
Theoretical weight: 43.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P56817 (Residues: 59-446; Coverage: 81%)
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: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 86.427Å b: 130.353Å c: 88.401Å
α: 90° β: 97.5° γ: 90°
R-values:
R R work R free
0.216 0.216 0.252
Expression system: Escherichia coli BL21