› 3r1g

X-ray diffraction
2.8Å resolution

Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody

Released:
DOI: 10.2210/pdb3r1g/pdb
PDB entry 3r1g coloured by chain, front view.
PDB entry 3r1g coloured by chain, side view.
PDB entry 3r1g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A therapeutic antibody targeting BACE1 inhibits amyloid-β production in vivo.
Atwal JK, Chen Y, Chiu C, Mortensen DL, Meilandt WJ, Liu Y, Heise CE, Hoyte K, Luk W, Lu Y, Peng K, Wu P, Rouge L, Zhang Y, Lazarus RA, Scearce-Levie K, Wang W, Wu Y, Tessier-Lavigne M, Watts RJ
Sci Transl Med 3 84ra43 (2011)
PMID: 21613622

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 trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-211322 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Beta-secretase 1 Chain: B
Molecule details ›
Chain: B
Length: 402 amino acids
Theoretical weight: 44.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P56817 (Residues: 57-453; Coverage: 83%)
Gene names: BACE, BACE1, KIAA1149
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases
FAB of YW412.8.31 antibody heavy chain Chain: H
Molecule details ›
Chain: H
Length: 222 amino acids
Theoretical weight: 23.28 KDa
Source organism: Homo sapiens
Structure domains: Immunoglobulins
FAB of YW412.8.31 antibody light chain Chain: L
Molecule details ›
Chain: L
Length: 214 amino acids
Theoretical weight: 23.36 KDa
Source organism: Homo sapiens
Structure domains: Immunoglobulins

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21
Unit cell:
a: 46.112Å b: 75.537Å c: 112.016Å
α: 90° β: 99.82° γ: 90°
R-values:
R R work R free
0.224 0.222 0.268
Expression system: Escherichia coli

Quick links

Citations

64 review citations

Targeting the β secretase BACE1 for Alzheimer's disease therapy.
Yan et al. (2014)
63 more

9 mentions without citation

Improving B-cell epitope prediction and its application to global antibody-antigen docking.
Krawczyk et al. (2014)
8 more