3FRZ

Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554

Summary for 3FRZ

• Entry DOI: 10.2210/pdb3frz/pdb
• Related: 1OS5 2HAI
• Descriptor: RNA-directed RNA polymerase, (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ... (5 entities in total)
• Functional Keywords: viral polymerase, acetylation, apoptosis, atp-binding, capsid protein, cell membrane, cytoplasm, endoplasmic reticulum, envelope protein, fusion protein, glycoprotein, helicase, host-virus interaction, hydrolase, interferon antiviral system evasion, lipid droplet, lipoprotein, membrane, metal-binding, mitochondrion, multifunctional enzyme, nucleotide-binding, nucleotidyltransferase, nucleus, oncogene, palmitate, phosphoprotein, protease, ribonucleoprotein, rna replication, rna-binding, rna-directed rna polymerase, secreted, serine protease, sh3-binding, thiol protease, transcription, transcription regulation, transferase, transmembrane, ubl conjugation, viral nucleoprotein, virion, zinc
• Biological source: Hepatitis C virus
• Cellular location: Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein. 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): P26663
• Total number of polymer chains: 1
• Total formula weight: 65373.89

Authors

Parge, H.E. (deposition date: 2009-01-08, release date: 2009-03-10, Last modification date: 2021-10-20)

• Primary citation: Li, H.,Tatlock, J.,Linton, A.,Gonzalez, J.,Jewell, T.,Patel, L.,Ludlum, S.,Drowns, M.,Rahavendran, S.V.,Skor, H.,Hunter, R.,Shi, S.T.,Herlihy, K.J.,Parge, H.,Hickey, M.,Yu, X.,Chau, F.,Nonomiya, J.,Lewis, C.; Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.; J.Med.Chem., 52:1255-1258, 2009; PubMed: 19209845; DOI: 10.1021/jm8014537

Experimental method

X-RAY DIFFRACTION (1.86 Å)