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; PubMed: 19963375; DOI: 10.1016/j.bmcl.2009.11.092

Experimental method

X-RAY DIFFRACTION (2.12 Å)