3DM6

Beta-secretase 1 complexed with statine-based inhibitor

Summary for 3DM6

Entry DOI	10.2210/pdb3dm6/pdb
Descriptor	Beta-secretase 1, 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, ISOPROPYL ALCOHOL, ... (4 entities in total)
Functional Keywords	bace, beta-secretase, statine, inhibitor, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen
Biological source	Homo sapiens (Human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	3
Total formula weight	139014.22
Authors	Lindberg, J.,Borkakoti, N.,Nystrom, S. (deposition date: 2008-06-30, release date: 2008-12-16, Last modification date: 2011-07-13)
Primary citation	Back, M.,Nyhlen, J.,Kvarnstrom, I.,Appelgren, S.,Borkakoti, N.,Jansson, K.,Lindberg, J.,Nystrom, S.,Hallberg, A.,Rosenquist, S.,Samuelsson, B. Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues Bioorg.Med.Chem., 16:9471-9486, 2008 Cited by PubMed: 18842420 DOI: 10.1016/j.bmc.2008.09.041 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation