2YOJ

HCV NS5B polymerase complexed with pyridonylindole compound

Summary for 2YOJ

• Entry DOI: 10.2210/pdb2yoj/pdb
• Descriptor: RNA-DIRECTED RNA POLYMERASE, 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: transferase, inhibitor
• Biological source: HEPATITIS C VIRUS
• Cellular location: Core protein p21: Host endoplasmic reticulum membrane ; Single-pass membrane protein . Core protein p19: Virion . Envelope glycoprotein E1: Virion membrane ; Single-pass type I membrane protein . Envelope glycoprotein E2: Virion membrane ; Single-pass type I membrane protein . p7: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Protease NS2-3: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Serine protease NS3: Host endoplasmic reticulum membrane ; Peripheral membrane protein . Non-structural protein 4A: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein . Non-structural protein 4B: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Non-structural protein 5A: Host endoplasmic reticulum membrane ; Peripheral membrane protein . RNA-directed RNA polymerase: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein : O92972
• Total number of polymer chains: 2
• Total formula weight: 131996.29

Authors

Chen, K.X.,Venkatraman, S.,Anilkumar, G.N.,Zeng, Q.,Lesburg, C.A.,Vibulbhan, B.,Yang, W.,Velazquez, F.,Chan, T.-Y.,Bennett, F.,Sannigrahi, M.,Jiang, Y.,Duca, J.S.,Pinto, P.,Gavalas, S.,Huang, Y.,Wu, W.,Selyutin, O.,Agrawal, S.,Feld, B.,Huang, H.-C.,Li, C.,Cheng, K.-C.,Shih, N.-Y.,Kozlowski, J.A.,Rosenblum, S.B.,Njoroge, F.G. (deposition date: 2012-10-24, release date: 2013-10-09, Last modification date: 2017-08-23)

• Primary citation: Chen, K.X.,Venkatraman, S.,Anilkumar, G.N.,Zeng, Q.,Lesburg, C.A.,Vibulbhan, B.,Velazquez, F.,Chan, T.-Y.,Bennett, F.,Jiang, Y.,Pinto, P.,Huang, Y.,Selyutin, O.,Agrawal, S.,Huang, H.-C.,Li, C.,Cheng, K.-C.,Shih, N.-Y.,Kozlowski, J.A.,Rosenblum, S.B.,Njoroge, F.G.; Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate; Acs Med.Chem.Lett., 5:244-, 2014; PubMed: 24900812; DOI: 10.1021/ML400192W

Experimental method

X-RAY DIFFRACTION (1.76 Å)