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; PubMed: 22247956; DOI: 10.1021/jm201322r

Experimental method

X-RAY DIFFRACTION (1.6 Å)