4MZ4

Discovery of an Irreversible HCV NS5B Polymerase Inhibitor

Summary for 4MZ4

• Entry DOI: 10.2210/pdb4mz4/pdb
• Descriptor: RNA-directed RNA polymerase, 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-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: 129591.82

Authors

Zeng, Q.,Anilkumar, G.N.,Rosenblum, S.B.,Huang, H.-C.,Lesburg, C.A.,Jiang, Y.,Selyutin, O.,Chan, T.-Y.,Bennett, F.,Chen, K.X.,Venkatraman, S.,Sannigrahi, M.,Velazquez, F.,Duca, J.S.,Gavalas, S.,Huang, Y.,Pu, H.,Wang, L.,Pinto, P.,Vibulbhan, B.,Agrawal, S.,Ferrari, E.,Jiang, C.-K.,Li, C.,Hesk, D.,Gesell, J.,Sorota, S.,Shih, N.-Y.,Njoroge, F.G.,Kozlowski, J.A. (deposition date: 2013-09-29, release date: 2013-12-11, Last modification date: 2013-12-18)

• Primary citation: Zeng, Q.,Nair, A.G.,Rosenblum, S.B.,Huang, H.C.,Lesburg, C.A.,Jiang, Y.,Selyutin, O.,Chan, T.Y.,Bennett, F.,Chen, K.X.,Venkatraman, S.,Sannigrahi, M.,Velazquez, F.,Duca, J.S.,Gavalas, S.,Huang, Y.,Pu, H.,Wang, L.,Pinto, P.,Vibulbhan, B.,Agrawal, S.,Ferrari, E.,Jiang, C.K.,Li, C.,Hesk, D.,Gesell, J.,Sorota, S.,Shih, N.Y.,Njoroge, F.G.,Kozlowski, J.A.; Discovery of an irreversible HCV NS5B polymerase inhibitor.; Bioorg.Med.Chem.Lett., 23:6585-6587, 2013; PubMed: 24252545; DOI: 10.1016/j.bmcl.2013.10.060

Experimental method

X-RAY DIFFRACTION (1.63 Å)