5WKJ
2.05 A resolution structure of MERS 3CL protease in complex with inhibitor GC376
Summary for 5WKJ
Entry DOI | 10.2210/pdb5wkj/pdb |
Descriptor | Orf1a protein, CALCIUM ION, (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ... (5 entities in total) |
Functional Keywords | protease, protease inhhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Middle East respiratory syndrome-related coronavirus |
Total number of polymer chains | 1 |
Total formula weight | 35365.50 |
Authors | Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Kankanamalage, A.C.G.,Kim, Y.,Rathnayake, A.D.,Chang, K.O.,Groutas, W.C. (deposition date: 2017-07-25, release date: 2018-04-04, Last modification date: 2023-10-04) |
Primary citation | Galasiti Kankanamalage, A.C.,Kim, Y.,Damalanka, V.C.,Rathnayake, A.D.,Fehr, A.R.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Lushington, G.H.,Perlman, S.,Chang, K.O.,Groutas, W.C. Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150:334-346, 2018 Cited by PubMed: 29544147DOI: 10.1016/j.ejmech.2018.03.004 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.05 Å) |
Structure validation
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