9MCN

Crystal structure of SARS-Cov-2 main protease S144A mutant in complex with Leritrelvir

This is a non-PDB format compatible entry.

Summary for 9MCN

• Entry DOI: 10.2210/pdb9mcn/pdb
• Descriptor: 3C-like proteinase nsp5, (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide (3 entities in total)
• Functional Keywords: viral protein-inhibitor complex, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 2
• Total formula weight: 67370.92

Authors

Zeng, P.,Li, J. (deposition date: 2025-03-17, release date: 2026-09-23)

• Primary citation: Zeng, P.,Li, J.; Crystal structure of SARS-Cov-2 main protease S144A mutant in complex with Leritrelvir; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.91 Å)