5TWM

CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

Summary for 5TWM

• Entry DOI: 10.2210/pdb5twm/pdb
• Related: 5TWN
• Descriptor: NS5B RNA-dependent RNA POLYMERASE, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, SULFATE 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: Hepatitis C virus genotype 2a (isolate JFH-1) (HCV)
• Total number of polymer chains: 1
• Total formula weight: 65591.15

Authors

Sheriff, S. (deposition date: 2016-11-14, release date: 2017-03-15, Last modification date: 2023-10-04)

• Primary citation: Eastman, K.J.,Parcella, K.,Yeung, K.S.,Grant-Young, K.A.,Zhu, J.,Wang, T.,Zhang, Z.,Yin, Z.,Beno, B.R.,Sheriff, S.,Kish, K.,Tredup, J.,Jardel, A.G.,Halan, V.,Ghosh, K.,Parker, D.,Mosure, K.,Fang, H.,Wang, Y.K.,Lemm, J.,Zhuo, X.,Hanumegowda, U.,Rigat, K.,Donoso, M.,Tuttle, M.,Zvyaga, T.,Haarhoff, Z.,Meanwell, N.A.,Soars, M.G.,Roberts, S.B.,Kadow, J.F.; The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.; Medchemcomm, 8:796-806, 2017; PubMed: 30108798; DOI: 10.1039/c6md00636a

Experimental method

X-RAY DIFFRACTION (1.97 Å)