4MIB
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide)
Summary for 4MIB
Entry DOI | 10.2210/pdb4mib/pdb |
Related | 4MIA 4MK7 4MK8 4MK9 4MKA 4MKB |
Descriptor | RNA-DIRECTED RNA POLYMERASE, DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, ... (4 entities in total) |
Functional Keywords | polymerase, transferase, ns5b, 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 | 127756.79 |
Authors | Harris, S.F.,Villasenor, A.G. (deposition date: 2013-08-30, release date: 2014-05-07, Last modification date: 2024-02-28) |
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 Cited by PubMed: 24195700DOI: 10.1021/jm401329s PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
Download full validation report