3GYN

Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor

3GYN の概要

• エントリーDOI: 10.2210/pdb3gyn/pdb
• 関連するPDBエントリー: 3IGV
• 分子名称: RNA-directed RNA polymerase, N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide (3 entities in total)
• 機能のキーワード: protein-ligand complex, rna replication, rna-binding, rna-directed rna polymerase, metal-binding, nucleotide-binding, nucleotidyltransferase, transcription, transferase, 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, mitochondrion, multifunctional enzyme, nucleus, oncogene, palmitate, phosphoprotein, protease, ribonucleoprotein, secreted, serine protease, sh3-binding, thiol protease, transcription regulation, transmembrane, ubl conjugation, viral nucleoprotein, virion, zinc
• 由来する生物種: Hepatitis C virus (isolate BK) (HCV)
• 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: 129768.84

構造登録者

Zhao, Q.,Showalter, R.E.,Han, Q.,Kissinger, C.R. (登録日: 2009-04-04, 公開日: 2009-12-08, 最終更新日: 2024-04-03)

• 主引用文献: Ellis, D.A.,Blazel, J.K.,Tran, C.V.,Ruebsam, F.,Murphy, D.E.,Li, L.S.,Zhao, J.,Zhou, Y.,McGuire, H.M.,Xiang, A.X.,Webber, S.E.,Zhao, Q.,Han, Q.,Kissinger, C.R.,Lardy, M.,Gobbi, A.,Showalter, R.E.,Shah, A.M.,Tsan, M.,Patel, R.A.,LeBrun, L.A.,Kamran, R.,Bartkowski, D.M.,Nolan, T.G.,Norris, D.A.,Sergeeva, M.V.,Kirkovsky, L.; 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.; Bioorg.Med.Chem.Lett., 19:6047-6052, 2009; PubMed: 19796938; DOI: 10.1016/j.bmcl.2009.09.051

実験手法

X-RAY DIFFRACTION (2.15 Å)