3U4R

Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides

Summary for 3U4R

• Entry DOI: 10.2210/pdb3u4r/pdb
• Related: 3U4O
• Descriptor: RNA-directed RNA polymerase, 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide (3 entities in total)
• Functional Keywords: nucleotidyl transfer, 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: 130189.99

Authors

Anilkumar, G.N.,Selyutin, O.,Rosenblum, S.B.,Zeng, Q.,Jiang, Y.,Chan, T.-Y.,Pu, H.,Wang, L.,Bennett, F.,Chen, K.X.,Lesburg, C.A.,Duca, J.S.,Gavalas, S.,Huang, Y.,Pinto, P.,Sannagrahi, M.,Velazquez, F.,Venkataraman, S.,Vilbubhan, B.,Agrawal, S.,Ferrari, E.,Jiang, C.-K.,Huang, H.-C.,Shih, N.-Y.,Njoroge, F.G.,Kozlowski, J.A. (deposition date: 2011-10-10, release date: 2011-12-07, Last modification date: 2024-02-28)

• Primary citation: Anilkumar, G.N.,Selyutin, O.,Rosenblum, S.B.,Zeng, Q.,Jiang, Y.,Chan, T.Y.,Pu, H.,Wang, L.,Bennett, F.,Chen, K.X.,Lesburg, C.A.,Duca, J.,Gavalas, S.,Huang, Y.,Pinto, P.,Sannigrahi, M.,Velazquez, F.,Venkatraman, S.,Vibulbhan, B.,Agrawal, S.,Ferrari, E.,Jiang, C.K.,Huang, H.C.,Shih, N.Y.,George Njoroge, F.,Kozlowski, J.A.; II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.; Bioorg.Med.Chem.Lett., 22:713-717, 2012; PubMed: 22104146; DOI: 10.1016/j.bmcl.2011.10.041

Experimental method

X-RAY DIFFRACTION (2 Å)