5W2E

HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876

Summary for 5W2E

• Entry DOI: 10.2210/pdb5w2e/pdb
• Descriptor: Genome polyprotein, 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (3 entities in total)
• Functional Keywords: antiviral inhibitor, hcv, polymerase, viral protein, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Hepatitis C virus genotype 1b (isolate BK) (HCV)
• 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 : P26663
• Total number of polymer chains: 2
• Total formula weight: 129368.01

Authors

Lesburg, C.A.,Ummat, A. (deposition date: 2017-06-06, release date: 2017-08-16, Last modification date: 2023-10-04)

• Primary citation: McComas, C.C.,Palani, A.,Chang, W.,Holloway, M.K.,Lesburg, C.A.,Li, P.,Liverton, N.,Meinke, P.T.,Olsen, D.B.,Peng, X.,Soll, R.M.,Ummat, A.,Wu, J.,Wu, J.,Zorn, N.,Ludmerer, S.W.; Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876.; ChemMedChem, 12:1436-1448, 2017; PubMed: 28741898; DOI: 10.1002/cmdc.201700228

Experimental method

X-RAY DIFFRACTION (2.8 Å)