› 3kyr

X-ray diffraction
2.6Å resolution

Bace-1 in complex with a norstatine type inhibitor

Released:
DOI: 10.2210/pdb3kyr/pdb
PDB entry 3kyr coloured by chain, front view.
PDB entry 3kyr coloured by chain, side view.
PDB entry 3kyr coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Lindberg JD, Borkakoti N, Derbyshire D, Nystrom S

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 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, C
Molecule details ›
Chains: A, B, C
Length: 405 amino acids
Theoretical weight: 45.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 42-446; Coverage: 84%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

1 bound ligand:
Ligand 038 3 x 038
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21
Unit cell:
a: 81.762Å b: 102.774Å c: 101.427Å
α: 90° β: 102.9° γ: 90°
R-values:
R R work R free
0.21 0.207 0.269
Expression system: Escherichia coli

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