4MKB

Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 14 (N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide)

Summary for 4MKB

• Entry DOI: 10.2210/pdb4mkb/pdb
• Related: 4MIA 4MIB 4MK7 4MK8 4MK9 4MKA
• Descriptor: RNA-DIRECTED RNA POLYMERASE, N-(4-{(E)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide (3 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: 127616.55

Authors

Harris, S.F.,Wong, A. (deposition date: 2013-09-04, release date: 2013-10-09, Last modification date: 2024-02-28)

• Primary citation: Schoenfeld, R.C.,Bourdet, D.L.,Brameld, K.A.,Chin, E.,de Vicente, J.,Fung, A.,Harris, S.F.,Lee, E.K.,Le Pogam, S.,Leveque, V.,Li, J.,Lui, A.S.,Najera, I.,Rajyaguru, S.,Sangi, M.,Steiner, S.,Talamas, F.X.,Taygerly, J.P.,Zhao, J.; Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.; J.Med.Chem., 56:8163-8182, 2013; PubMed: 24069953; DOI: 10.1021/jm401266k

Experimental method

X-RAY DIFFRACTION (1.9 Å)