6UJ1

BACE2 mutant in complex with a macrocyclic compound

Summary for 6UJ1

• Entry DOI: 10.2210/pdb6uj1/pdb
• Descriptor: Beta-secretase 2, (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 (2 entities in total)
• Functional Keywords: aspartic protease, peptide binding protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 100141.72

Authors

Yen, Y.C.,Ghosh, A.K.,Mesecar, A.D. (deposition date: 2019-10-02, release date: 2020-10-07, Last modification date: 2023-10-11)

• Primary citation: Yen, Y.C.,Kammeyer, A.M.,Tirlangi, J.,Ghosh, A.K.,Mesecar, A.D.; A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.; Acs Chem Neurosci, 12:581-588, 2021; PubMed: 33544569; DOI: 10.1021/acschemneuro.0c00629

Experimental method

X-RAY DIFFRACTION (3.03 Å)