3TPR

Crystal structure of BACE1 complexed with an inhibitor

Summary for 3TPR

Entry DOI	10.2210/pdb3tpr/pdb
Related	3TPJ 3TPL 3TPP
Descriptor	Beta-secretase 1, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	memapsin 2, protease, beta-secretase 1, 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	1
Total formula weight	48953.23
Authors	Xu, Y.C.,Li, M.J.,Greenblatt, H.,Chen, T.T.,Silman, I.,Sussman, J.L. (deposition date: 2011-09-08, release date: 2011-11-23, Last modification date: 2023-11-01)
Primary citation	Xu, Y.C.,Li, M.J.,Greenblatt, H.,Chen, W.Y.,Paz, A.,Dym, O.,Peleg, Y.,Chen, T.T.,Shen, X.,He, J.H.,Jiang, H.L.,Silman, I.,Sussman, J.L. Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68:13-25, 2012 Cited by PubMed: 22194329 DOI: 10.1107/S0907444911047251 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.55 Å)

Structure validation