3K5D
Crystal Structure of BACE-1 in complex with AHM178
Summary for 3K5D
| Entry DOI | 10.2210/pdb3k5d/pdb |
| Related PRD ID | PRD_000675 |
| Descriptor | Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide (3 entities in total) |
| Functional Keywords | aspartyl protease, alzheimer's disease, endoplasmic reticulum, endosome, glycoprotein, golgi apparatus, membrane, protease, transmembrane, 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 | 137939.24 |
| Authors | Rondeau, J.-M. (deposition date: 2009-10-07, release date: 2010-05-05, Last modification date: 2017-11-01) |
| Primary citation | Hanessian, S.,Shao, Z.,Betschart, C.,Rondeau, J.M.,Neumann, U.,Tintelnot-Blomley, M. Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20:1924-1927, 2010 Cited by PubMed: 20172717DOI: 10.1016/j.bmcl.2010.01.139 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.9 Å) |
Structure validation
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