4GMC

Crystal structure of HCV NS5B polymerase in complex with a thumb inhibitor

Summary for 4GMC

• Entry DOI: 10.2210/pdb4gmc/pdb
• Related: 3MWV 3MWW
• Descriptor: NS5B polymerase, SULFATE ION, 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide, ... (4 entities in total)
• Functional Keywords: 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: 129531.20

Authors

Coulombe, R. (deposition date: 2012-08-15, release date: 2013-02-20, Last modification date: 2023-09-13)

• Primary citation: Beaulieu, P.L.,Coulombe, R.,Gillard, J.,Brochu, C.,Duan, J.,Garneau, M.,Jolicoeur, E.,Kuhn, P.,Poupart, M.A.,Rancourt, J.,Stammers, T.A.,Thavonekham, B.,Kukolj, G.; Allosteric N-acetamide-indole-6-carboxylic acid thumb pocket 1 inhibitors of hepatitis C virus NS5B polymerase - Acylsulfonamides and acylsulfamides as carboxylic acid replacements; Can.J.Chem., 91:66-81, 2013; DOI: 10.1139/cjc-2012-0319

Experimental method

X-RAY DIFFRACTION (2.7 Å)