4TWW
Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor
Summary for 4TWW
Entry DOI | 10.2210/pdb4tww/pdb |
Related | 4TWX 4TWY |
Descriptor | 3C-like proteinase, (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)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) |
Cellular location | Papain-like proteinase: 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 . Helicase: Host endoplasmic reticulum-Golgi intermediate compartment . Uridylate-specific endoribonuclease: Host cytoplasm, host perinuclear region : P0C6X7 |
Total number of polymer chains | 2 |
Total formula weight | 68612.02 |
Authors | Akaji, K.,Teruya, K.,Shimamoto, Y.,Sanjho, A.,Yamashita, E.,Nakagawa, A. (deposition date: 2014-07-02, release date: 2015-02-18, Last modification date: 2024-03-20) |
Primary citation | Shimamoto, Y.,Hattori, Y.,Kobayashi, K.,Teruya, K.,Sanjoh, A.,Nakagawa, A.,Yamashita, E.,Akaji, K. Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors Bioorg.Med.Chem., 23:876-890, 2015 Cited by PubMed: 25614110DOI: 10.1016/j.bmc.2014.12.028 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.42 Å) |
Structure validation
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