3LJ3

PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor

Summary for 3LJ3

DescriptorPhosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, ... (4 entities in total)
Functional Keywordsatp-binding, kinase, nucleotide-binding, transferase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P48736
Total number of polymer chains1
Total molecular weight111354.72
Authors
Bard, J.,Svenson, K. (deposition date: 2010-01-25, release date: 2010-04-14, Last modification date: 2012-02-29)
Primary citation
Tsou, H.R.,MacEwan, G.,Birnberg, G.,Grosu, G.,Bursavich, M.G.,Bard, J.,Brooijmans, N.,Toral-Barza, L.,Hollander, I.,Mansour, T.S.,Ayral-Kaloustian, S.,Yu, K.
Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).
Bioorg.Med.Chem.Lett., 20:2321-2325, 2010
PubMed: 20188552 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2010.01.135
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.43 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.256120.9%5.3%3.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution