3TYQ
SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
Summary for 3TYQ
Entry DOI | 10.2210/pdb3tyq/pdb |
Related | 3TYV |
Descriptor | RNA-directed RNA polymerase, 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, ... (4 entities in total) |
Functional Keywords | rna-dependent rna polymerase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Hepatitis C virus (HCV) |
Cellular location | Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein (By similarity). 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): O92972 |
Total number of polymer chains | 2 |
Total formula weight | 129538.89 |
Authors | Lesburg, C.A.,Chen, K.X. (deposition date: 2011-09-26, release date: 2012-02-01, Last modification date: 2024-02-28) |
Primary citation | Chen, K.X.,Lesburg, C.A.,Vibulbhan, B.,Yang, W.,Chan, T.Y.,Venkatraman, S.,Velazquez, F.,Zeng, Q.,Bennett, F.,Anilkumar, G.N.,Duca, J.,Jiang, Y.,Pinto, P.,Wang, L.,Huang, Y.,Selyutin, O.,Gavalas, S.,Pu, H.,Agrawal, S.,Feld, B.,Huang, H.C.,Li, C.,Cheng, K.C.,Shih, N.Y.,Kozlowski, J.A.,Rosenblum, S.B.,Njoroge, F.G. A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors. J.Med.Chem., 55:2089-2101, 2012 Cited by PubMed: 22247956DOI: 10.1021/jm201322r PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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