Brand  (β version)

PDB ID: 3NSH

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Ligands
Code Name Style Show Link
957 N-[(1s,2r)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide PoSSuM
Non-standard Residues
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Structure summary

Code : 3NSH   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : BACE-1 in complex with ELN475957
Release Data : 2010-09-22
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A,B,C Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2
ec: 3.4.23.46
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BACE1, BACE, KIAA1149
Authors : Probst, G.D., Bowers, S., Sealy, J.M., Brecht, E., Yao, N.
Keywords : MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP 2, ASP2, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, BETA-SITE APP CLEAVING ENZYME 1, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.20 Å )
Citation :

Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.

Probst, G.D.,Bowers, S.,Sealy, J.M.  et al.
(2010)  Bioorg.Med.Chem.Lett.  20 : 6034 - 6039

PubMed: 20822903
DOI: 10.1016/j.bmcl.2010.08.070

Reaction

Chain : A, B, C
UniProt : P56817 (BACE1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Broad endopeptidase specificity. Cleaves Glu-Val-Asn-Leu-|- Asp-Ala-Glu-Phe in the Swedish variant of Alzheimer's amyloid precursor protein. 3.4.23.46 PubMed:10677483
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