3DV5

Crystal structure of human beta-secretase in complex with NVP-BAV544

Summary for 3DV5

Entry DOI	10.2210/pdb3dv5/pdb
Related	3DUY 3DV1
Descriptor	Beta-secretase 1, (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione (3 entities in total)
Functional Keywords	beta-secretase, memapsin2, bace1, aspartic protease, alzheimer's disease, enzyme inhibitor complex, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, transmembrane, zymogen
Biological source	Homo sapiens
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	3
Total formula weight	135795.16
Authors	Rondeau, J.-M. (deposition date: 2008-07-18, release date: 2009-02-24, Last modification date: 2023-08-30)
Primary citation	Machauer, R.,Laumen, K.,Veenstra, S.,Rondeau, J.M.,Tintelnot-Blomley, M.,Betschart, C.,Jaton, A.L.,Desrayaud, S.,Staufenbiel, M.,Rabe, S.,Paganetti, P.,Neumann, U. Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19:1366-1370, 2009 Cited by PubMed: 19195887 DOI: 10.1016/j.bmcl.2009.01.055 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation