5TWN

CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS 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 5TWN

• Entry DOI: 10.2210/pdb5twn/pdb
• Related: 5TWM
• Descriptor: NS5B RNA- DEPENDENT RNA POLYMERASE, (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: ns5b, polymerase, hcv, fingers, palm, thumb, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Hepatitis C virus genotype 1b (isolate Con1) (HCV)
• Total number of polymer chains: 2
• Total formula weight: 130825.81

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 (3.04 Å)