3TIU

Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82

Summary for 3TIU

• Entry DOI: 10.2210/pdb3tiu/pdb
• Descriptor: SARS coronavirus main protease, DIMETHYL SULFOXIDE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE, ... (4 entities in total)
• Functional Keywords: coronavirus main 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: 34649.58

Authors

Zhu, L.,Hilgenfeld, R. (deposition date: 2011-08-22, release date: 2012-08-22, 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 (2.08 Å)