5DQC
Co-crystal of BACE1 with compound 0211
Summary for 5DQC
Entry DOI | 10.2210/pdb5dqc/pdb |
Descriptor | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (3 entities in total) |
Functional Keywords | b-secretase, inhibitor, alzheimer's disease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 3 |
Total formula weight | 132365.49 |
Authors | Ghosh, A.K.,Bhavanam, S.R.,Yen, T.-C.,Cardenas, E.L.,Rao, K.V.,Downs, D.,Huang, X.,Tang, J.,Mescar, A.D. (deposition date: 2015-09-14, release date: 2016-02-17, Last modification date: 2016-07-13) |
Primary citation | Ghosh, A.K.,Reddy, B.S.,Yen, Y.C.,Cardenas, E.,Rao, K.V.,Downs, D.,Huang, X.,Tang, J.,Mesecar, A.D. Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7:3117-3122, 2016 Cited by PubMed: 27347366DOI: 10.1039/C5SC03718B PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4651 Å) |
Structure validation
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