3TPP
Crystal structure of BACE1 complexed with an inhibitor
Summary for 3TPP
Entry DOI | 10.2210/pdb3tpp/pdb |
Related | 3TPJ 3TPL 3TPR |
Descriptor | Beta-secretase 1, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, CHLORIDE ION, ... (6 entities in total) |
Functional Keywords | memapsin 2, protease, bace1, 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 | 49938.00 |
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: 22194329DOI: 10.1107/S0907444911047251 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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