Brand  (β version)

PDB ID: 4GID

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Ligands
Code Name Style Show Link
0GH N-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide PoSSuM
LPD L-prolinamide PoSSuM
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Structure summary

Code : 4GID   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Structure of beta-secretase complexed with inhibitor
Release Data : 2012-10-10
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A,B,C,D 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: CATALYTIC DOMAIN
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:511693)
gene: BACE1, BACE, KIAA1149
expression_system_strain: BL21
expression_system_vector_type: plasmid
expression_system_plasmid: pET11a
Authors : Ghosh, A., Tang, J., Venkateswara, R.K., Yadav, N., Anderson, D., Gavande, N., Huang, X., Terzyan, S.
Keywords : ASPARTIC PROTEASE, BETA SECRETASE, APP, BACE, A-BETA, PROTEASE, MEMAPSIN, ALZHEIMER, DRUG DESIGN, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.0 Å )
Citation :

Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.

Ghosh, A.K.,Venkateswara Rao, K.,Yadav, N.D.  et al.
(2012)  J.Med.Chem.  55 : 9195 - 9207

PubMed: 22954357
DOI: 10.1021/jm3008823

Reaction

Chain : A, B, C, D
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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