5P9K

CRYSTAL STRUCTURE OF BTK with CNX 774

5P9K の概要

Group depositionCrystal structures of Tyrosine-protein kinase BTK in complex with inhibitors (G_1002011)
分子名称Tyrosine-protein kinase BTK, 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide (3 entities in total)
機能のキーワードlead optimization, transferase
由来する生物種Homo sapiens (Human)
細胞内の位置Cytoplasm Q06187
ポリマー鎖数1
分子量合計32827.58
構造登録者
Gardberg, A.S. (登録日: 2016-09-20, 公開日: 2017-05-24, 最終更新日: 2018-02-21)
主引用文献
Bender, A.T.,Gardberg, A.,Pereira, A.,Johnson, T.,Wu, Y.,Grenningloh, R.,Head, J.,Morandi, F.,Haselmayer, P.,Liu-Bujalski, L.
Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91:208-219, 2017
PubMed: 28062735 (主引用文献が同じPDBエントリー)
DOI: 10.1124/mol.116.107037
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.28 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.201700.8%13.7%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

他の静止画像(非対称単位)

Molmil generated image of 5p9k
回転なし
Molmil generated image of 5p9k
x軸(左右方向)周りに90°回転
Molmil generated image of 5p9k
y軸(上下方向)周りに90°回転