2QZK

Crystal structure of human Beta Secretase complexed with I21

Summary for 2QZK

Entry DOI	10.2210/pdb2qzk/pdb
Related	2QZL
Descriptor	Beta-secretase 1, 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile (3 entities in total)
Functional Keywords	aspartyl protease, bace, alternative splicing, glycoprotein, hydrolase, membrane, transmembrane, zymogen
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	1
Total formula weight	45648.35
Authors	Munshi, S. (deposition date: 2007-08-16, release date: 2008-04-29, Last modification date: 2023-08-30)
Primary citation	Moore, K.P.,Zhu, H.,Rajapakse, H.A.,McGaughey, G.B.,Colussi, D.,Price, E.A.,Sankaranarayanan, S.,Simon, A.J.,Pudvah, N.T.,Hochman, J.H.,Allison, T.,Munshi, S.K.,Graham, S.L.,Vacca, J.P.,Nantermet, P.G. Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17:5831-5835, 2007 Cited by PubMed: 17827011 DOI: 10.1016/j.bmcl.2007.08.040 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation