4KHR

HCV NS5B GT1A C316Y with GSK5852

4KHR の概要

関連するPDBエントリー4KAI 4KB7 4KBI 4KE5 4KHM
分子名称NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid, ... (4 entities in total)
機能のキーワードhcv polymerase, hcv ns5b, site iv inhibitor, boron, p66, p70, rna dependent rna polymerase, rna directed rna polymerase, polymerase, rns dependent rna polymerase, replication-replication inhibitor complex, replication/replication inhibitor
由来する生物種Hepatitis C virus subtype 1a (HCV)
詳細
細胞内の位置Virion  B1PPP0
ポリマー鎖数2
分子量合計129705.76
構造登録者
Williams, S.P.,Kahler, K.M.,Shotwell, J.B. (登録日: 2013-05-01, 公開日: 2013-05-29, 最終更新日: 2017-11-15)
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 (2.45 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.250400.7%5.3%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