› 5mxd

X-ray diffraction
2.52Å resolution

BACE-1 IN COMPLEX WITH LIGAND 32397778

Released:
DOI: 10.2210/pdb5mxd/pdb
PDB entry 5mxd coloured by chain, front view.
PDB entry 5mxd coloured by chain, side view.
PDB entry 5mxd coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Alexander R

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: 432 amino acids
Theoretical weight: 48.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 22-446; Coverage: 89%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

2 bound ligands:
Ligand III 3 x III
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: C2
Unit cell:
a: 232.913Å b: 100.737Å c: 59.045Å
α: 90° β: 102.03° γ: 90°
R-values:
R R work R free
0.228 0.227 0.281
Expression system: Escherichia coli

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