3IXJ
Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor
Summary for 3IXJ
Entry DOI | 10.2210/pdb3ixj/pdb |
Descriptor | Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION, ... (4 entities in total) |
Functional Keywords | bace, beta secretase-1, inhibitor, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen, disulfide bond, polymorphism, 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 | 132611.32 |
Authors | Borkakoti, N.,Lindberg, J.,Nystrom, S. (deposition date: 2009-09-04, release date: 2010-03-02, Last modification date: 2011-07-13) |
Primary citation | Bjorklund, C.,Oscarson, S.,Benkestock, K.,Borkakoti, N.,Jansson, K.,Lindberg, J.,Vrang, L.,Hallberg, A.,Rosenquist, A.,Samuelsson, B. Design and Synthesis of Potent and Selective BACE-1 Inhibitors. J.Med.Chem., 53:1458-1464, 2010 Cited by PubMed: 20128595DOI: 10.1021/jm901168f PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
Download full validation report