3L3M

PARP complexed with A927929

3L3M の概要

関連するPDBエントリー2RCW 2RD6 3GJW 3GN7
分子名称Poly [ADP-ribose] polymerase 1, 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide (3 entities in total)
機能のキーワードprotein-inhibitor complex, acetylation, adp-ribosylation, dna damage, dna repair, dna-binding, glycosyltransferase, metal-binding, nad, nucleus, phosphoprotein, transcription, transcription regulation, transferase
由来する生物種Homo sapiens (human)
細胞内の位置Nucleus P09874
ポリマー鎖数1
分子量合計39507.19
構造登録者
Park, C.H. (登録日: 2009-12-17, 公開日: 2010-06-23, 最終更新日: 2011-07-13)
主引用文献
Penning, T.D.,Zhu, G.D.,Gong, J.,Thomas, S.,Gandhi, V.B.,Liu, X.,Shi, Y.,Klinghofer, V.,Johnson, E.F.,Park, C.H.,Fry, E.H.,Donawho, C.K.,Frost, D.J.,Buchanan, F.G.,Bukofzer, G.T.,Rodriguez, L.E.,Bontcheva-Diaz, V.,Bouska, J.J.,Osterling, D.J.,Olson, A.M.,Marsh, K.C.,Luo, Y.,Giranda, V.L.
Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.
J.Med.Chem., 53:3142-3153, 2010
PubMed: 20337371 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm901775y
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.5 Å)
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構造検証レポート

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers252.0%21.6%5.5%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