3WB4
Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one
Summary for 3WB4
Entry DOI | 10.2210/pdb3wb4/pdb |
Related | 3WB5 |
Descriptor | Beta-secretase 1, GLYCEROL, IODIDE ION, ... (5 entities in total) |
Functional Keywords | protease 2, asp2, membrane-associated aspartic protease 2, memapsin-2, hydrolase |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 47260.55 |
Authors | Yonezawa, S.,Fujiwara, K.,Yamamoto, T.,Hattori, K.,Yamakawa, H.,Muto, C.,Hosono, M.,Tanaka, Y.,Nakano, T.,Takemoto, H.,Arisawa, M.,Shuto, S. (deposition date: 2013-05-13, release date: 2013-10-02, Last modification date: 2017-11-22) |
Primary citation | Yonezawa, S.,Fujiwara, K.,Yamamoto, T.,Hattori, K.,Yamakawa, H.,Muto, C.,Hosono, M.,Tanaka, Y.,Nakano, T.,Takemoto, H.,Arisawa, M.,Shuto, S. Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations Bioorg.Med.Chem., 21:6506-6522, 2013 Cited by PubMed: 24051074DOI: 10.1016/j.bmc.2013.08.036 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.25 Å) |
Structure validation
Download full validation report