4MIA

Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with RG7109 (N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide)

Summary for 4MIA

• Entry DOI: 10.2210/pdb4mia/pdb
• Related: 4MIB 4MK7 4MK8 4MK9 4MKA 4MKB
• Descriptor: RNA-directed RNA polymerase, ZINC ION, N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide, ... (4 entities in total)
• Functional Keywords: polymerase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Hepatitis C virus (HCV)
• Cellular location: Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein. Core protein p19: Virion (By similarity). Envelope glycoprotein E1: Virion membrane; Single-pass type I membrane protein (Potential). Envelope glycoprotein E2: Virion membrane; Single-pass type I membrane protein (Potential). p7: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Protease NS2-3: Host endoplasmic reticulum membrane; Multi-pass membrane protein (Potential). Serine protease NS3: Host endoplasmic reticulum membrane; Peripheral membrane protein (By similarity). Non-structural protein 4A: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential). Non-structural protein 4B: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Non-structural protein 5A: Host endoplasmic reticulum membrane; Peripheral membrane protein (By similarity). RNA-directed RNA polymerase: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential): P26663
• Total number of polymer chains: 2
• Total formula weight: 127855.46

Authors

Harris, S.F.,Villasenor, A.G. (deposition date: 2013-08-30, release date: 2014-05-07)

• Primary citation: Talamas, F.X.,Abbot, S.C.,Anand, S.,Brameld, K.A.,Carter, D.S.,Chen, J.,Davis, D.,de Vicente, J.,Fung, A.D.,Gong, L.,Harris, S.F.,Inbar, P.,Labadie, S.S.,Lee, E.K.,Lemoine, R.,Le Pogam, S.,Leveque, V.,Li, J.,McIntosh, J.,Najera, I.,Park, J.,Railkar, A.,Rajyaguru, S.,Sangi, M.,Schoenfeld, R.C.,Staben, L.R.,Tan, Y.,Taygerly, J.P.,Villasenor, A.G.,Weller, P.E.; Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.; J.Med.Chem., 57:1914-1931, 2014; PubMed: 24195700; DOI: 10.1021/jm401329s

Experimental method

X-RAY DIFFRACTION (2.8 Å)