5JHA

Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2

Summary for 5JHA

DescriptorPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol, SULFATE ION, ... (4 entities in total)
Functional Keywordsinhibitor, lipid kinase, pi3k, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P48736
Total number of polymer chains1
Total molecular weight110741.32
Authors
Burke, J.E.,Inglis, A.J.,Williams, R.L. (deposition date: 2016-04-20, release date: 2017-03-15, Last modification date: 2017-09-13)
Primary citation
Bohnacker, T.,Prota, A.E.,Beaufils, F.,Burke, J.E.,Melone, A.,Inglis, A.J.,Rageot, D.,Sele, A.M.,Cmiljanovic, V.,Cmiljanovic, N.,Bargsten, K.,Aher, A.,Akhmanova, A.,Diaz, J.F.,Fabbro, D.,Zvelebil, M.,Williams, R.L.,Steinmetz, M.O.,Wymann, M.P.
Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8:14683-14683, 2017
PubMed: 28276440 (PDB entries with the same primary citation)
DOI: 10.1038/ncomms14683
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.51 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.246180 0.1% 7.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
169963
PDB entries from 2020-10-14