3DU8

Crystal structure of GSK-3 beta in complex with NMS-869553A

3DU8 の概要

分子名称Glycogen synthase kinase-3 beta, (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one (3 entities in total)
機能のキーワードprotein kinase, alternative splicing, atp-binding, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
由来する生物種Homo sapiens
細胞内の位置Cytoplasm  P49841
ポリマー鎖数2
分子量合計94461.33
構造登録者
Bossi, R.T. (登録日: 2008-07-17, 公開日: 2009-03-03, 最終更新日: 2017-10-25)
主引用文献
Menichincheri, M.,Bargiotti, A.,Berthelsen, J.,Bertrand, J.A.,Bossi, R.,Ciavolella, A.,Cirla, A.,Cristiani, C.,Croci, V.,D'Alessio, R.,Fasolini, M.,Fiorentini, F.,Forte, B.,Isacchi, A.,Martina, K.,Molinari, A.,Montagnoli, A.,Orsini, P.,Orzi, F.,Pesenti, E.,Pezzetta, D.,Pillan, A.,Poggesi, I.,Roletto, F.,Scolaro, A.,Tato, M.,Tibolla, M.,Valsasina, B.,Varasi, M.,Volpi, D.,Santocanale, C.,Vanotti, E.
First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J.Med.Chem., 52:293-307, 2009
PubMed: 19115845 (主引用文献が同じPDBエントリー)
DOI: 10.1021/jm800977q
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.2 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24340.9%3.5%6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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