4K9H

Bace-1 inhibitor complex

Summary for 4K9H

Entry DOI	10.2210/pdb4k9h/pdb
Related	4K8S 4KE0 4KE1
Descriptor	Beta-secretase 1, 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide (3 entities in total)
Functional Keywords	aspartic protease, protease, 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	131599.26
Authors	Jordan, S.R. (deposition date: 2013-04-19, release date: 2013-07-10, Last modification date: 2013-07-17)
Primary citation	Pennington, L.D.,Whittington, D.A.,Bartberger, M.D.,Jordan, S.R.,Monenschein, H.,Nguyen, T.T.,Yang, B.H.,Xue, Q.M.,Vounatsos, F.,Wahl, R.C.,Chen, K.,Wood, S.,Citron, M.,Patel, V.F.,Hitchcock, S.A.,Zhong, W. Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23:4459-4464, 2013 Cited by PubMed: 23769639 DOI: 10.1016/j.bmcl.2013.05.028 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.29 Å)

Structure validation