2QIQ

Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors

Summary for 2QIQ

• Entry DOI: 10.2210/pdb2qiq/pdb
• Related: 2ALV
• Descriptor: Replicase polyprotein 1ab, ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE (3 entities in total)
• Functional Keywords: hydrolase, viral protein
• Biological source: SARS coronavirus
• Cellular location: Non-structural protein 3: Host membrane; Multi-pass membrane protein (Potential). Non-structural protein 4: Host membrane; Multi-pass membrane protein (Potential). Non-structural protein 6: Host membrane; Multi-pass membrane protein (Potential). Non-structural protein 7: Host cytoplasm, host perinuclear region (By similarity). Non-structural protein 8: Host cytoplasm, host perinuclear region (By similarity). Non-structural protein 9: Host cytoplasm, host perinuclear region (By similarity). Non-structural protein 10: Host cytoplasm, host perinuclear region (By similarity). Helicase: Host endoplasmic reticulum-Golgi intermediate compartment (Potential). Uridylate-specific endoribonuclease: Host cytoplasm, host perinuclear region (By similarity): P59641
• Total number of polymer chains: 1
• Total formula weight: 33966.85

Authors

Grum-Tokars, V. (deposition date: 2007-07-05, release date: 2008-02-12, Last modification date: 2023-08-30)

• Primary citation: Ghosh, A.K.,Xi, K.,Grum-Tokars, V.,Xu, X.,Ratia, K.,Fu, W.,Houser, K.V.,Baker, S.C.,Johnson, M.E.,Mesecar, A.D.; Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.; Bioorg.Med.Chem.Lett., 17:5876-5880, 2007; PubMed: 17855091; DOI: 10.1016/j.bmcl.2007.08.031

Experimental method

X-RAY DIFFRACTION (1.9 Å)