6BIC

2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor

Summary for 6BIC

Entry DOI	10.2210/pdb6bic/pdb
Related PRD ID	PRD_002202
Descriptor	3C-like protease, (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate (3 entities in total)
Functional Keywords	protease, norovirus, norwalk virus, antiviral inhibitors, triazole-based macrocyclic inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Norwalk virus (Hu/NV/NV/1968/US)
Total number of polymer chains	2
Total formula weight	41367.55
Authors	Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Kankanamalage, A.C.G.,Weerawarna, P.M.,Rathnayake, A.D.,Kim, Y.,Chang, K.O.,Groutas, W.C. (deposition date: 2017-11-01, release date: 2018-11-07, Last modification date: 2023-10-04)
Primary citation	Galasiti Kankanamalage, A.C.,Weerawarna, P.M.,Rathnayake, A.D.,Kim, Y.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C. Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87:579-587, 2019 Cited by PubMed: 30883881 DOI: 10.1002/prot.25682 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation