3KVX

JNK3 bound to aminopyrimidine inhibitor, SR-3562

Summary for 3KVX

DescriptorMitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline (3 entities in total)
Functional Keywordsjnk3, mapk10, inhibitor, atp-binding, epilepsy, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P53779
Total number of polymer chains1
Total molecular weight42694.38
Authors
Habel, J.E.,Laughlin, J.D.,LoGrasso, P. (deposition date: 2009-11-30, release date: 2009-12-22, Last modification date: 2011-07-13)
Primary citation
Kamenecka, T.,Jiang, R.,Song, X.,Duckett, D.,Chen, W.,Ling, Y.Y.,Habel, J.,Laughlin, J.D.,Chambers, J.,Figuera-Losada, M.,Cameron, M.D.,Lin, L.,Ruiz, C.H.,Lograsso, P.V.
Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors
J.Med.Chem., 53:419-431, 2010
PubMed: 19947601 (PDB entries with the same primary citation)
DOI: 10.1021/jm901351f
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.285141.6%4.3%7.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload