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; PubMed: 20128595; DOI: 10.1021/jm901168f

Experimental method

X-RAY DIFFRACTION (2.2 Å)