5TG2

1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer)

Summary for 5TG2

• Entry DOI: 10.2210/pdb5tg2/pdb
• Related: 5TG1
• Related PRD ID: PRD_002248
• Descriptor: 3C-LIKE PROTEASE, (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione (3 entities in total)
• Functional Keywords: protease, norovirus, norwalk virus, antiviral inhibitors, macrocyclic inhibitor, hydrolase-hydrolase inhibitor complex, protease-protease inhibitor complex, protease/protease inhibitor
• Biological source: Norwalk virus (Hu/NV/NV/1968/US)
• Total number of polymer chains: 1
• Total formula weight: 20567.74

Authors

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Damalanka, V.C.,Kim, Y.,Kankanamalage, A.C.G.,Chang, K.-O.,Groutas, W.C. (deposition date: 2016-09-27, release date: 2017-01-11, Last modification date: 2023-10-04)

• Primary citation: Damalanka, V.C.,Kim, Y.,Galasiti Kankanamalage, A.C.,Lushington, G.H.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.; Eur J Med Chem, 127:41-61, 2016; PubMed: 28038326; DOI: 10.1016/j.ejmech.2016.12.033

Experimental method

X-RAY DIFFRACTION (1.75 Å)