4FUL

PI3 Kinase Gamma bound to a pyrmidine inhibitor

Summary for 4FUL

DescriptorPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide (3 entities in total)
Functional Keywordskinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P48736
Total number of polymer chains1
Total molecular weight111193.68
Authors
Gopalsamy, A.,Bennett, E.M.,Shi, M.,Zhang, W.G.,Bard, J.,Yu, K. (deposition date: 2012-06-28, release date: 2012-10-17, Last modification date: 2012-10-31)
Primary citation
Gopalsamy, A.,Bennett, E.M.,Shi, M.,Zhang, W.G.,Bard, J.,Yu, K.
Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg.Med.Chem.Lett., 22:6636-6641, 2012
PubMed: 23021994 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2012.08.107
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.47 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.27120.2%6.9%4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4ful
no rotation
Molmil generated image of 4ful
rotated about x axis by 90°
Molmil generated image of 4ful
rotated about y axis by 90°