3H98

Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative

Summary for 3H98

• Entry DOI: 10.2210/pdb3h98/pdb
• Descriptor: RNA-directed RNA polymerase, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: rna polymerase, nucleotide binding, transferase
• Biological source: Hepatitis C virus (isolate BK) (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: 129526.58

Authors

Wang, G.,Lei, H.,Wang, X.,Das, D.,Mackinnon, C.,Montalbetti, C.A.G.,Mears, R.,Gai, X.,Bailey, S.,Ruhrmund, D.,Hooi, L.,Misialek, S.,Rajagopalan, R.,Cheng, R.K.Y.,Barker, J.L.,Felicetti, B.,Stoycheva, A.,Buckman, B.,Kossen, K.,Seiwert, S.,Beigelmana, L. (deposition date: 2009-04-30, release date: 2009-10-13, Last modification date: 2023-09-06)

• Primary citation: Wang, G.,Lei, H.,Wang, X.,Das, D.,Hong, J.,Mackinnon, C.H.,Coulter, T.S.,Montalbetti, C.A.,Mears, R.,Gai, X.,Bailey, S.E.,Ruhrmund, D.,Hooi, L.,Misialek, S.,Rajagopalan, P.T.,Cheng, R.K.,Barker, J.J.,Felicetti, B.,Schonfeld, D.L.,Stoycheva, A.,Buckman, B.O.,Kossen, K.,Seiwert, S.D.,Beigelman, L.; HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.; Bioorg.Med.Chem.Lett., 19:4480-4483, 2009; PubMed: 19500983; DOI: 10.1016/j.bmcl.2009.05.022

Experimental method

X-RAY DIFFRACTION (1.9 Å)