3QGD
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide
3QGD の概要
エントリーDOI | 10.2210/pdb3qgd/pdb |
関連するPDBエントリー | 3QGE 3QGF 3QGG 3QGH 3QGI |
分子名称 | RNA-directed RNA polymerase, (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, SULFATE ION, ... (5 entities in total) |
機能のキーワード | ns5b, polymerase, hcv, fingers, palm, thumb, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
由来する生物種 | Hepatitis C virus subtype 1b |
細胞内の位置 | 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): Q9WMX2 |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 130316.52 |
構造登録者 | |
主引用文献 | Gentles, R.G.,Sheriff, S.,Beno, B.R.,Wan, C.,Kish, K.,Ding, M.,Zheng, X.,Chupak, L.,Poss, M.A.,Witmer, M.R.,Morin, P.,Wang, Y.K.,Rigat, K.,Lemm, J.,Voss, S.,Liu, M.,Pelosi, L.,Roberts, S.B.,Gao, M.,Kadow, J.F. Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 21:2212-2215, 2011 Cited by PubMed: 21441029DOI: 10.1016/j.bmcl.2011.03.011 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.6 Å) |
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