4M13

Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]

4M13 の概要

関連するPDBエントリー4M0Y 4M0Z 4M12 4M14 4M15
分子名称Tyrosine-protein kinase ITK/TSK, 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide (3 entities in total)
機能のキーワードkinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
由来する生物種Homo sapiens (human)
細胞内の位置Cytoplasm Q08881
ポリマー鎖数1
分子量合計31002.38
構造登録者
Han, S.,Caspers, N.L. (登録日: 2013-08-02, 公開日: 2014-04-02, 最終更新日: 2014-06-04)
主引用文献
Han, S.,Czerwinski, R.M.,Caspers, N.L.,Limburg, D.C.,Ding, W.,Wang, H.,Ohren, J.F.,Rajamohan, F.,McLellan, T.J.,Unwalla, R.,Choi, C.,Parikh, M.D.,Seth, N.,Edmonds, J.,Phillips, C.,Shakya, S.,Li, X.,Spaulding, V.,Hughes, S.,Cook, A.,Robinson, C.,Mathias, J.P.,Navratilova, I.,Medley, Q.G.,Anderson, D.R.,Kurumbail, R.G.,Aulabaugh, A.
Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460:211-222, 2014
PubMed: 24593284 (主引用文献が同じPDBエントリー)
DOI: 10.1042/BJ20131139
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.85 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.228200.4%2.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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