6Q8K

CLK1 with bound pyridoquinazoline

Summary for 6Q8K

DescriptorDual specificity protein kinase CLK1, 1,2-ETHANEDIOL, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine, ... (4 entities in total)
Functional Keywordsclk1, dual specifity protein kinase clk1, inhibitor, kinase, structural genomics, structural genomics consortium, sgc, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight39981.99
Authors
Primary citation
Tazarki, H.,Zeinyeh, W.,Esvan, Y.J.,Knapp, S.,Chatterjee, D.,Schroder, M.,Joerger, A.C.,Khiari, J.,Josselin, B.,Baratte, B.,Bach, S.,Ruchaud, S.,Anizon, F.,Giraud, F.,Moreau, P.
New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166:304-317, 2019
PubMed: 30731399 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2019.01.052
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.29 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2675 0.3%0 3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload