Brand  (β version)

PDB ID: 3K5C

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Ligands
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0BI (4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one PoSSuM
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Structure summary

Code : 3K5C   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Human BACE-1 complex with NB-216
Release Data : 2010-03-02
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
fragment: Catalytic domain
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: BACE, BACE1, KIAA1149
expression_system_strain: BL21 TUNER (DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET24
Authors : Rondeau, J.-M.
Keywords : aspartyl proteinase; alzheimer's disease, Aspartyl protease, Disulfide bond, Endoplasmic reticulum, Endosome, Glycoprotein, Golgi apparatus, Hydrolase-Hydrolase inhibitor complex, Membrane, Protease, Transmembrane
Exp. method : X-RAY DIFFRACTION ( 2.120 Å )
Citation :

Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.

Lerchner, A.,Machauer, R.,Betschart, C.  et al.
(2010)  Bioorg.Med.Chem.Lett.  20 : 603 - 607

PubMed: 19963375
DOI: 10.1016/j.bmcl.2009.11.092

Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo

Machauer, R.,Laumen, K.,Veenstra, S.  et al.
(2009)  Bioorg. Med. Chem. Lett.  19 : 1366 - 1370

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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