6VH2

2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i

Summary for 6VH2

• Entry DOI: 10.2210/pdb6vh2/pdb
• Descriptor: Orf1a protein, 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate (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: 69575.59

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; PubMed: 32747425; DOI: 10.1126/scitranslmed.abc5332

Experimental method

X-RAY DIFFRACTION (2.26 Å)