6NV7

BACE1 in complex with a macrocyclic inhibitor

Summary for 6NV7

• Entry DOI: 10.2210/pdb6nv7/pdb
• Descriptor: Beta-secretase 1, (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide (3 entities in total)
• Functional Keywords: protease, inhibitor complex, peptide binding protein, peptide binding protein-inhibitor complex, peptide binding protein/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 132074.27

Authors

Yen, Y.C.,Ghosh, A.K.,Mesecar, A.D. (deposition date: 2019-02-04, release date: 2019-10-09, Last modification date: 2023-10-11)

• Primary citation: Yen, Y.C.,Kammeyer, A.M.,Jensen, K.C.,Tirlangi, J.,Ghosh, A.K.,Mesecar, A.D.; Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.; Biochemistry, 58:4424-4435, 2019; PubMed: 31549827; DOI: 10.1021/acs.biochem.9b00714

Experimental method

X-RAY DIFFRACTION (2.132 Å)