6VGZ

2.25 A resolution structure of MERS 3CL protease in complex with inhibitor 6d

Summary for 6VGZ

Entry DOI	10.2210/pdb6vgz/pdb
Descriptor	Orf1a protein, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide (3 entities in total)
Functional Keywords	protease, mers 3cl protease inhhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Middle East respiratory syndrome-related coronavirus
Total number of polymer chains	2
Total formula weight	69507.66
Authors	Lovell, S.,Battaile, K.P.,Kashipathy, M.M.,Rathnayake, A.D.,Zheng, J.,Kim, Y.,Nguyen, H.N.,Chang, K.O.,Groutas, W.C. (deposition date: 2020-01-09, release date: 2020-08-12, Last modification date: 2023-10-11)
Primary citation	Rathnayake, A.D.,Zheng, J.,Kim, Y.,Perera, K.D.,Mackin, S.,Meyerholz, D.K.,Kashipathy, M.M.,Battaile, K.P.,Lovell, S.,Perlman, S.,Groutas, W.C.,Chang, K.O. 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12:-, 2020 Cited by PubMed: 32747425 DOI: 10.1126/scitranslmed.abc5332 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation