3PHE
HCV NS5B with a bound quinolone inhibitor
Summary for 3PHE
| Entry DOI | 10.2210/pdb3phe/pdb |
| Descriptor | HCV encoded nonstructural 5B protein, 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate (3 entities in total) |
| Functional Keywords | transferase, polymerase, rna, mitochondrial membrane, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Hepatitis C virus |
| Total number of polymer chains | 4 |
| Total formula weight | 258806.20 |
| Authors | Somoza, J.R.,To, N.,Lehoux, I. (deposition date: 2010-11-03, release date: 2010-11-17, Last modification date: 2024-02-21) |
| Primary citation | Kumar, D.V.,Rai, R.,Brameld, K.A.,Somoza, J.R.,Rajagopalan, R.,Janc, J.W.,Xia, Y.M.,Ton, T.L.,Shaghafi, M.B.,Hu, H.,Lehoux, I.,To, N.,Young, W.B.,Green, M.J. Quinolones as HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 21:82-87, 2011 Cited by PubMed Abstract: Hepatitis C virus (HCV) infection is treated with a combination of peginterferon alfa-2a/b and ribavirin. To address the limitations of this therapy, numerous small molecule agents are in development, which act by directly affecting key steps in the viral life-cycle. Herein we describe our discovery of quinolone derivatives, novel small-molecules that inhibit NS5b polymerase, a key enzyme of the viral life-cycle. A crystal structure of a quinoline analog bound to NS5B reveals that this class of compounds binds to allosteric site-II (non-nucleoside inhibitor-site 2, NNI-2) of this protein. PubMed: 21145235DOI: 10.1016/j.bmcl.2010.11.068 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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