› 4try

X-ray diffraction
2.75Å resolution

Structure of BACE1 complex with a HEA-type inhibitor

Released:
DOI: 10.2210/pdb4try/pdb
PDB entry 4try coloured by chain, front view.
PDB entry 4try coloured by chain, side view.
PDB entry 4try coloured by chain, top view.
Source organisms:
Entry authors: Akaji K, Teruya K, Akiyama T, Sanjho A, Yamashita E, Nakagawa A

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157555 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Beta-secretase 1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 388 amino acids
Theoretical weight: 43.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P56817 (Residues: 60-447; Coverage: 81%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases
GLU-ILE-TIH-THC-NVA Chains: D, E, F
Molecule details ›
Chains: D, E, F
Length: 4 amino acids
Theoretical weight: 696 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand TIH 3 x TIH

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44XU
Spacegroup: P21
Unit cell:
a: 82.326Å b: 102.618Å c: 101.287Å
α: 90° β: 103.53° γ: 90°
R-values:
R R work R free
0.183 0.18 0.252
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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