8D4K

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376

Summary for 8D4K

Entry DOI	10.2210/pdb8d4k/pdb
Related	8D4J 8D4L 8D4M 8D4N
Related PRD ID	PRD_002495
Descriptor	3C-like proteinase nsp5, (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	protease, sars-cov-2, mpro, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	34336.13
Authors	Lewandowski, E.M.,Hu, Y.,Tan, H.,Wang, J.,Chen, Y. (deposition date: 2022-06-02, release date: 2022-07-13, Last modification date: 2023-10-18)
Primary citation	Hu, Y.,Lewandowski, E.M.,Tan, H.,Zhang, X.,Morgan, R.T.,Zhang, X.,Jacobs, L.M.C.,Butler, S.G.,Gongora, M.V.,Choy, J.,Deng, X.,Chen, Y.,Wang, J. Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022 Cited by PubMed: 36119652 DOI: 10.1101/2022.06.28.497978 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.89 Å)

Structure validation