8DD6

SARS-CoV-2 Main Protease (Mpro) H163A Mutant in Complex with GC376

Summary for 8DD6

Entry DOI	10.2210/pdb8dd6/pdb
Related PRD ID	PRD_002495
Descriptor	ORF1a polyprotein, DIMETHYL SULFOXIDE, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ... (4 entities in total)
Functional Keywords	cysteine protease, sars-cov-2, 3cl-like, gc376, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	34322.16
Authors	Tran, N.,McLeod, M.J.,Kalyaanamoorthy, S.,Ganesan, A.,Holyoak, T. (deposition date: 2022-06-17, release date: 2023-09-27)
Primary citation	Tran, N.,Dasari, S.,Barwell, S.A.E.,McLeod, M.J.,Kalyaanamoorthy, S.,Holyoak, T.,Ganesan, A. The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14:5625-5625, 2023 Cited by PubMed: 37699927 DOI: 10.1038/s41467-023-40023-4 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation