6NV9
BACE1 in complex with a macrocyclic inhibitor
Summary for 6NV9
Entry DOI | 10.2210/pdb6nv9/pdb |
Descriptor | Beta-secretase 1, (3S)-3-hydroxy-N-(2-methylpropyl)-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}-L-norleucinamide, SULFATE ION, ... (4 entities in total) |
Functional Keywords | protease, inhibitor complex, peptide binding protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 3 |
Total formula weight | 132452.67 |
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 Cited by PubMed: 31549827DOI: 10.1021/acs.biochem.9b00714 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.13 Å) |
Structure validation
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