7UKK

Room-temperature X-ray structure of SARS-CoV-2 main protease in complex with GC-376

Summary for 7UKK

Entry DOI	10.2210/pdb7ukk/pdb
Related PRD ID	PRD_002495
Descriptor	3C-like proteinase, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (3 entities in total)
Functional Keywords	cysteine protease, catalytic domain, viral enzyme, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	34311.10
Authors	Kovalevsky, A.,Kneller, D.W.,Coates, L. (deposition date: 2022-04-01, release date: 2022-10-05, Last modification date: 2023-10-18)
Primary citation	Nashed, N.T.,Kneller, D.W.,Coates, L.,Ghirlando, R.,Aniana, A.,Kovalevsky, A.,Louis, J.M. Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain. Commun Biol, 5:976-976, 2022 Cited by PubMed: 36114420 DOI: 10.1038/s42003-022-03910-y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation