3TNT

Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG85

Summary for 3TNT

• Entry DOI: 10.2210/pdb3tnt/pdb
• Descriptor: SARS coronavirus main protease, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide (3 entities in total)
• Functional Keywords: 3c-like protease, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: SARS coronavirus (SARS-CoV)
• Cellular location: Non-structural protein 3: Host membrane ; Multi-pass membrane protein . Non-structural protein 4: Host membrane ; Multi-pass membrane protein . Non-structural protein 6: Host membrane ; Multi-pass membrane protein . Non-structural protein 7: Host cytoplasm, host perinuclear region . Non-structural protein 8: Host cytoplasm, host perinuclear region . Non-structural protein 9: Host cytoplasm, host perinuclear region . Non-structural protein 10: Host cytoplasm, host perinuclear region : P0C6U8
• Total number of polymer chains: 1
• Total formula weight: 34529.42

Authors

Zhu, L.,Hilgenfeld, R. (deposition date: 2011-09-02, release date: 2012-09-05, Last modification date: 2017-11-08)

• Primary citation: Zhu, L.,Hilgenfeld, R.; Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters; To be Published,

Experimental method

X-RAY DIFFRACTION (1.59 Å)