5T6G

2.45 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7m (hexagonal form)

Summary for 5T6G

• Entry DOI: 10.2210/pdb5t6g/pdb
• Related: 5T6D 5T6F
• Descriptor: Genome polyprotein, 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide (3 entities in total)
• Functional Keywords: protease, norovirus, norwalk virus, antiviral inhibitors, dipeptidyl inhibitor, protease-protease inhibitor complex, protease/protease inhibitor
• Biological source: Norwalk virus (Hu/NV/NV/1968/US)
• Total number of polymer chains: 2
• Total formula weight: 41227.65

Authors

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Kankanamalage, A.C.G.,Kim, Y.,Rathnayake, A.D.,Damalanka, V.C.,Weerawarna, P.M.,Doyle, S.T.,Alsoudi, A.F.,Dissanayake, D.M.P.,Chang, K.-O.,Groutas, W.C. (deposition date: 2016-09-01, release date: 2016-11-23, Last modification date: 2023-10-04)

• Primary citation: Galasiti Kankanamalage, A.C.,Kim, Y.,Rathnayake, A.D.,Damalanka, V.C.,Weerawarna, P.M.,Doyle, S.T.,Alsoudi, A.F.,Dissanayake, D.M.,Lushington, G.H.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.; Eur J Med Chem, 126:502-516, 2016; PubMed: 27914364; DOI: 10.1016/j.ejmech.2016.11.027

Experimental method

X-RAY DIFFRACTION (2.45 Å)