2XCH

Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor

2XCH の概要

関連するPDBエントリー2XCK 1UU8 1OKY 1Z5M 1UU9 1W1D 1OKZ 1H1W 2VKI 1UU3 1W1G 2BIY 1W1H 1UU7 1UVR
分子名称3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, GLYCEROL, ... (5 entities in total)
機能のキーワードpi3-kinase signalling, transferase, serine/threonine-protein kinase, atp-binding
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Cytoplasm O15530
ポリマー鎖数1
分子量合計36960.03
構造登録者
Angiolini, M.,Banfi, P.,Casale, E.,Casuscelli, F.,Fiorelli, C.,Saccardo, M.B.,Silvagni, M.,Zuccotto, F. (登録日: 2010-04-23, 公開日: 2010-07-28, 最終更新日: 2011-07-13)
主引用文献
Angiolini, M.,Banfi, P.,Casale, E.,Casuscelli, F.,Fiorelli, C.,Saccardo, M.B.,Silvagni, M.,Zuccotto, F.
Structure-Based Optimization of Potent Pdk1 Inhibitors.
Bioorg.Med.Chem.Lett., 20:4095-, 2010
PubMed: 20621725 (主引用文献が同じPDBエントリー)
DOI: 10.1016/J.BMCL.2010.05.070
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.217502.4%6.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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