3H59

Hepatitis C virus polymerase NS5B with thiazine inhibitor 2

3H59 の概要

• エントリーDOI: 10.2210/pdb3h59/pdb
• 関連するPDBエントリー: 2GIQ 3G86 3H5S 3H5U
• 分子名称: RNA-directed RNA polymerase, N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide (3 entities in total)
• 機能のキーワード: hcv, hepatitis, ns5b, transferase rna-dependent rna polymerase, acetylation, apoptosis, atp-binding, capsid protein, cell membrane, cytoplasm, disulfide bond, 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
• 由来する生物種: Hepatitis C virus
• 細胞内の位置: 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
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 129480.63

構造登録者

Harris, S.F.,Ghate, M. (登録日: 2009-04-21, 公開日: 2009-09-08, 最終更新日: 2011-07-13)

• 主引用文献: de Vicente, J.,Hendricks, R.T.,Smith, D.B.,Fell, J.B.,Fischer, J.,Spencer, S.R.,Stengel, P.J.,Mohr, P.,Robinson, J.E.,Blake, J.F.,Hilgenkamp, R.K.,Yee, C.,Zhao, J.,Elworthy, T.R.,Tracy, J.,Chin, E.,Li, J.,Lui, A.,Wang, B.,Oshiro, C.,Harris, S.F.,Ghate, M.,Leveque, V.J.,Najera, I.,Le Pogam, S.,Rajyaguru, S.,Ao-Ieong, G.,Alexandrova, L.,Fitch, B.,Brandl, M.,Masjedizadeh, M.,Wu, S.Y.,de Keczer, S.,Voronin, T.; Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids; Bioorg.Med.Chem.Lett., 19:5648-5651, 2009; PubMed: 19700319; DOI: 10.1016/j.bmcl.2009.08.023

実験手法

X-RAY DIFFRACTION (2.1 Å)