3exo

Crystal structure of BACE1 bound to inhibitorCrystal structure of BACE1 bound to inhibitor

Structural highlights 3exo is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: , , Gene: BACE1, BACE, KIAA1149 (Homo sapiens) Activity: Memapsin 2, with EC number 3.4.23.46 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed A small molecule inhibitor of beta-secretase with a unique binding mode has been developed. Crystallographic determination of the enzyme-inhibitor complex shows the catalytic aspartate residues in the active site are not engaged in inhibitor binding. This unprecedented binding mode in the field of aspartyl protease inhibition is described. Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement.,Steele TG, Hills ID, Nomland AA, de Leon P, Allison T, McGaughey G, Colussi D, Tugusheva K, Haugabook SJ, Espeseth AS, Zuck P, Graham SL, Stachel SJ Bioorg Med Chem Lett. 2009 Jan 1;19(1):17-20. Epub 2008 Nov 13. PMID:19036583 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Beta secretase

spinqualitylabelsall models 3exo, resolution 2.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image