5C5O

Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor

Summary for 5C5O

• Entry DOI: 10.2210/pdb5c5o/pdb
• Related: 5C5N
• Descriptor: 3C-like proteinase, (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal (3 entities in total)
• Functional Keywords: hydrase proteinase converting, designed inhibitor, hydrase-inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human SARS coronavirus (SARS-CoV)
• Total number of polymer chains: 2
• Total formula weight: 68540.36

Authors

Akaji, K.,Teruya, K.,Shimamoto, Y.,Sanjho, A.,Yamashita, E.,Nakagawa, A. (deposition date: 2015-06-21, release date: 2016-06-22, Last modification date: 2020-01-29)

• Primary citation: Shimamoto, Y.,Hattori, H.,Kobayashi, K.,Teruya, K.,Sanjho, A.,Nakagawa, A.,Yamashita, E.,Akaji, K.; Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors; to be published,

Experimental method

X-RAY DIFFRACTION (1.5 Å)