3WB5

Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one

Summary for 3WB5

Entry DOI	10.2210/pdb3wb5/pdb
Related	3WB4
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (6 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	47293.41
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: 24051074 DOI: 10.1016/j.bmc.2013.08.036 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.501 Å)

Structure validation