Brand  (β version)

PDB ID: 2IQG

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Ligands
Code Name Style Show Link
F2I N'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylisophthalamide PoSSuM
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Structure summary

Code : 2IQG   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal Structure of Hydroxyethyl Secondary Amine-based Peptidomimetic Inhibitor of Human Beta-Secretase (BACE)
Release Data : 2007-02-27
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein 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
expression_system_strain: BL21(pREP4)
expression_system_vector_type: plasmid
expression_system_plasmid: pQE-70
Authors : Benson, T.E., Woods, D.D., Prince, D.B., Tomasselli, A.G., Emmons, T.L.
Keywords : protein-inhibitor complex, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.700 Å )
Citation :

Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human beta-Secretase.

Maillard, M.C.,Hom, R.K.,Benson, T.E.  et al.
(2007)  J.Med.Chem.  50 : 776 - 781

PubMed: 17300163
DOI: 10.1021/jm061242y

Reaction

Chain : A
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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