4KBI

HCV NS5B GT1B N316Y with CMPD 4

4KBI の概要

関連するPDBエントリー4KAI 4KB7 4KE5 4KHM 4KHR
分子名称HCV Polymerase, 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (3 entities in total)
機能のキーワードhcv polymerase, hcv ns5b, site iv inhibitor, boron, p66, p70, rna directed rna polymerase, tar7360, polymerase, rna dependent rna polymerase, replication-replication inhibitor complex, replication/replication inhibitor
由来する生物種Hepatitis C virus (HCV)
詳細
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
ポリマー鎖数2
分子量合計130503.05
構造登録者
Williams, S.P.,Kahler, K.M.,Shotwell, J.B. (登録日: 2013-04-23, 公開日: 2013-05-08, 最終更新日: 2014-03-26)
主引用文献
Maynard, A.,Crosby, R.M.,Ellis, B.,Hamatake, R.,Hong, Z.,Johns, B.A.,Kahler, K.M.,Koble, C.,Leivers, A.,Leivers, M.R.,Mathis, A.,Peat, A.J.,Pouliot, J.J.,Roberts, C.D.,Samano, V.,Schmidt, R.M.,Smith, G.K.,Spaltenstein, A.,Stewart, E.L.,Thommes, P.,Turner, E.M.,Voitenleitner, C.,Walker, J.T.,Waitt, G.,Weatherhead, J.,Weaver, K.,Williams, S.,Wright, L.,Xiong, Z.Z.,Haigh, D.,Shotwell, J.B.
Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57:1902-1913, 2014
PubMed: 23672667 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm400317w
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.06 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25830.1%0.1%2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
検証レポート(詳細版)をダウンロード