3PI5

Crystal Structure of Human Beta Secretase in Complex with BFG356

Summary for 3PI5

Entry DOI	10.2210/pdb3pi5/pdb
Descriptor	Beta-secretase 1, (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide (3 entities in total)
Functional Keywords	enzyme inhibitor complex, aspartic proteinase, 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	135773.25
Authors	Rondeau, J.M. (deposition date: 2010-11-05, release date: 2011-03-23, Last modification date: 2017-03-01)
Primary citation	Rueeger, H.,Rondeau, J.M.,McCarthy, C.,Mobitz, H.,Tintelnot-Blomley, M.,Neumann, U.,Desrayaud, S. Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21:1942-1947, 2011 Cited by PubMed: 21388807 DOI: 10.1016/j.bmcl.2011.02.038 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation