3K5C
Human BACE-1 complex with NB-216
Summary for 3K5C
Entry DOI | 10.2210/pdb3k5c/pdb |
Related | 3DV5 3K5D 3K5F 3K5G |
Descriptor | Beta-secretase 1, (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one (3 entities in total) |
Functional Keywords | aspartyl proteinase; alzheimer's disease, aspartyl protease, disulfide bond, endoplasmic reticulum, endosome, glycoprotein, golgi apparatus, hydrolase-hydrolase inhibitor complex, membrane, protease, transmembrane, 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 | 136047.26 |
Authors | Rondeau, J.-M. (deposition date: 2009-10-07, release date: 2010-03-02, Last modification date: 2017-11-01) |
Primary citation | Lerchner, A.,Machauer, R.,Betschart, C.,Veenstra, S.,Rueeger, H.,McCarthy, C.,Tintelnot-Blomley, M.,Jaton, A.L.,Rabe, S.,Desrayaud, S.,Enz, A.,Staufenbiel, M.,Paganetti, P.,Rondeau, J.M.,Neumann, U. Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg.Med.Chem.Lett., 20:603-607, 2010 Cited by PubMed: 19963375DOI: 10.1016/j.bmcl.2009.11.092 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.12 Å) |
Structure validation
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