› 1m4h

X-ray diffraction
2.1Å resolution

Crystal Structure of Beta-secretase complexed with Inhibitor OM00-3

Released:
DOI: 10.2210/pdb1m4h/pdb
PDB entry 1m4h coloured by chain, front view.
PDB entry 1m4h coloured by chain, side view.
PDB entry 1m4h coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structure of memapsin 2 (beta-secretase) in complex with an inhibitor OM00-3.
Hong L, Turner RT, Koelsch G, Shin D, Ghosh AK, Tang J
Biochemistry 41 10963-7 (2002)
PMID: 12206667

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 domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157543 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Beta-secretase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 391 amino acids
Theoretical weight: 43.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 56-446; Coverage: 82%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases
Inhibitor OM00-3 Chains: C, D
Molecule details ›
Chains: C, D
Length: 7 amino acids
Theoretical weight: 936 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 86.45Å b: 88.787Å c: 130.954Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.216 0.271
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

25 review citations

The beta-secretase enzyme BACE in health and Alzheimer's disease: regulation, cell biology, function, and therapeutic potential.
Vassar et al. (2009)
24 more

14 mentions without citation

BACE1 (β-secretase) inhibitors for the treatment of Alzheimer's disease.
Ghosh et al. (2014)
13 more