9NNG

X-ray structure of SARS-CoV-2 main protease V186I covalently bound to inhibitor GRL-051-22 at 1.90 A

This is a non-PDB format compatible entry.

Summary for 9NNG

• Entry DOI: 10.2210/pdb9nng/pdb
• Descriptor: 3C-like proteinase nsp5, (3S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, POTASSIUM ION, ... (4 entities in total)
• Functional Keywords: main protease, 3-chymotrypsin-like protease, mpro, 3clpro, mutant, structural genomics, center for structural biology of infectious diseases, csbid, viral protein, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 1
• Total formula weight: 34402.22

Authors

Beechboard, S.N.,Ghosh, A.K.,Mesecar, A.D.,Center for Structural Biology of Infectious Diseases (CSBID) (deposition date: 2025-03-05, release date: 2025-11-26)

• Primary citation: Beechboard, S.N.,Ghosh, A.K.,Mesecar, A.D.; X-ray structure of SARS-CoV-2 main protease V186I covalently bound to inhibitor GRL-051-22 at 1.90 A; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.9 Å)