5QJ0

CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide

Summary for 5QJ0

• Entry DOI: 10.2210/pdb5qj0/pdb
• Group deposition: NS5B 1b (G_1002055)
• Descriptor: RNA-dependent RNA polymerase, 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, THIOCYANATE ION, ... (6 entities in total)
• Functional Keywords: rdrp structure (fingers, palm, thumb domains), acetylation, apoptosis, atp-binding, capsid protein, cell membrane, cytoplasm, disulfide bond, endoplasmic reticulum, envelope protein, fusion protein, glycoprotein, helicase, host-virus interaction, hydrolase, interferon antiviral system evasion, lipid droplet, lipoprotein, membrane, metal- binding, mitochondrion, multifunctional enzyme, nucleotide- binding, nucleotidyltransferase, nucleus, oncogene, palmitate, phosphoprotein, protease, ribonucleoprotein, rna replication, rna-binding, rna-directed rna polymerase, secreted, serine protease, sh3-binding, thiol protease, transcription, transcription regulation, transferase, transmembrane, ubl conjugation, viral nucleoprotein, virion, zinc, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Hepacivirus C
• Total number of polymer chains: 1
• Total formula weight: 65608.29

Authors

Sheriff, S. (deposition date: 2018-08-13, release date: 2018-11-21, Last modification date: 2024-03-06)

• Primary citation: Yeung, K.S.,Beno, B.R.,Mosure, K.,Zhu, J.,Grant-Young, K.A.,Parcella, K.,Anjanappa, P.,Bora, R.O.,Selvakumar, K.,Wang, Y.K.,Fang, H.,Krause, R.,Rigat, K.,Liu, M.,Lemm, J.,Sheriff, S.,Witmer, M.,Tredup, J.,Jardel, A.,Kish, K.,Parker, D.,Haskell, R.,Santone, K.,Meanwell, N.A.,Soars, M.G.,Roberts, S.B.,Kadow, J.F.; Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.; ACS Med Chem Lett, 9:1217-1222, 2018; PubMed: 30613329; DOI: 10.1021/acsmedchemlett.8b00379

Experimental method

X-RAY DIFFRACTION (2.08 Å)