3K5F

Human BACE-1 COMPLEX WITH AYH011

Summary for 3K5F

Entry DOI	10.2210/pdb3k5f/pdb
Related	3K5C 3K5D 3K5G
Descriptor	Beta-secretase 1, (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide (3 entities in total)
Functional Keywords	aspartyl protease, alzheimer's disease, structure-based design, 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	135837.11
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: 20172717 DOI: 10.1016/j.bmcl.2010.01.139 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation