Crystal Structure of PI3K-gamma in Complex with Imidazopyridine 2

Summary for 4FHJ

DescriptorPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine, ... (4 entities in total)
Functional Keywordsinhibitor, p110, kinase, transferase, atp-binding, p84, p101, transferase-inhibitor complex, transferase/inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm  P48736
Total number of polymer chains1
Total molecular weight110515.62
Shaffer, P.L.,Tang, J.,Yakowec, P. (deposition date: 2012-06-06, release date: 2012-07-18, Last modification date: 2017-11-15)
Primary citation
Peterson, E.A.,Boezio, A.A.,Andrews, P.S.,Boezio, C.M.,Bush, T.L.,Cheng, A.C.,Choquette, D.,Coats, J.R.,Colletti, A.E.,Copeland, K.W.,Dupont, M.,Graceffa, R.,Grubinska, B.,Kim, J.L.,Lewis, R.T.,Liu, J.,Mullady, E.L.,Potashman, M.H.,Romero, K.,Shaffer, P.L.,Stanton, M.K.,Stellwagen, J.C.,Teffera, Y.,Yi, S.,Cai, T.,La, D.S.
Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22:4967-4974, 2012
PubMed: 22765895 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2012.06.033
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25430.4%1.4%2.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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Molmil generated image of 4fhj
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