Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
0ZA 3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one
ZN Zinc ion
Code : 4HZT   PDBj   RCSB PDB   PDBe
Header : hydrolase/hydrolase inhibitor
Title : Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
Release Data : 2013-03-06
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A Aspartyl protease 2, ASP2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2
ec: 3.4.23.46
fragment: unp residues 57-453
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BACE1, BACE, KIAA1149
Authors : Yao, N., Brecht, E.
Keywords : Aspartic protease, Hydrolysis, hydrolase-hydrolase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.

Bowers, S.,Xu, Y.Z.,Yuan, S.  et al.
(2013)  Bioorg.Med.Chem.Lett.  23 : 2181 - 2186

PubMed: 23465612
DOI: 10.1016/j.bmcl.2013.01.103

Chain : A
UniProt : P56817 (BACE1_HUMAN)
Reaction : Broad endopeptidase specificity. Cleaves Glu- Val-Asn-Leu-|-Asp-Ala-Glu-Phe in the Swedish variant of Alzheimer's amyloid precursor protein.