› 5dqc

X-ray diffraction
2.47Å resolution

Co-crystal of BACE1 with compound 0211

Released:
DOI: 10.2210/pdb5dqc/pdb
PDB entry 5dqc coloured by chain, front view.
PDB entry 5dqc coloured by chain, side view.
PDB entry 5dqc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design of Potent and Highly Selective Inhibitors for Human β-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Ghosh AK, Reddy BS, Yen YC, Cardenas E, Rao KV, Downs D, Huang X, Tang J, Mesecar AD
Chem Sci 7 3117-3122 (2016)
PMID: 27347366

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: 390 amino acids
Theoretical weight: 43.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 58-447; Coverage: 81%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

1 bound ligand:
Ligand 5E7 3 x 5E7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 81.95Å b: 103.403Å c: 100.834Å
α: 90° β: 102.66° γ: 90°
R-values:
R R work R free
0.187 0.185 0.235
Expression system: Escherichia coli

Quick links

Citations

2 review citations

BACE2: A Promising Neuroprotective Candidate for Alzheimer's Disease.
Yeap et al. (2023)
1 more

4 mentions without citation

Design of Potent and Highly Selective Inhibitors for Human β-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Ghosh et al. (2016)
3 more