6MVQ

HCV NS5B 1b N316 bound to Compound 31

6MVQ の概要

関連するPDBエントリー6MVP 6MVK 6MVO
分子名称HCV Polymerase, (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid (3 entities in total)
機能のキーワードhepatitus c, ns5b, replication, viral protein
由来する生物種Hepatitis C virus subtype 1b
ポリマー鎖数2
分子量合計125985.79
構造登録者
Williams, S.P.,Kahler, K.,Price, D.J.,Peat, A.J. (登録日: 2018-10-26, 公開日: 2019-09-04)
主引用文献
Chong, P.Y.,Shotwell, J.B.,Miller, J.,Price, D.J.,Maynard, A.,Voitenleitner, C.,Mathis, A.,Williams, S.,Pouliot, J.J.,Creech, K.,Wang, F.,Fang, J.,Zhang, H.,Tai, V.W.,Turner, E.,Kahler, K.M.,Crosby, R.,Peat, A.J.
Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62:3254-3267, 2019
PubMed: 30763090 (主引用文献が同じPDBエントリー)
DOI: 10.1021/acs.jmedchem.8b01719
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.14 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23130 0.4% 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