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

Summary for 3DU8

DescriptorGlycogen 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)
Functional Keywordsprotein kinase, alternative splicing, atp-binding, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
Biological sourceHomo sapiens
Cellular locationCytoplasm  P49841
Total number of polymer chains2
Total molecular weight94461.33
Bossi, R.T. (deposition date: 2008-07-17, release date: 2009-03-03, Last modification date: 2017-10-25)
Primary citation
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 (PDB entries with the same primary citation)
DOI: 10.1021/jm800977q
MImport into Mendeley
Experimental method

Structure validation

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
Download full validation report