Crystal structure of PI3K p110gamma catalytical domain in complex with organoruthenium inhibitor E5E2

Summary for 3CST

DescriptorPhosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Methylated Ruthenium Pyridocarbazole (2 entities in total)
Functional Keywordsphosphoinositide 3-kinase gamma, pi3k, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P48736
Total number of polymer chains1
Total molecular weight111386.69
Xie, P.,Marmorstein, R. (deposition date: 2008-04-10, release date: 2008-05-20, Last modification date: 2017-10-25)
Primary citation
Xie, P.,Williams, D.S.,Atilla-Gokcumen, G.E.,Milk, L.,Xiao, M.,Smalley, K.S.,Herlyn, M.,Meggers, E.,Marmorstein, R.
Structure-based design of an organoruthenium phosphatidyl-inositol-3-kinase inhibitor reveals a switch governing lipid kinase potency and selectivity.
Acs Chem.Biol., 3:305-316, 2008
PubMed: 18484710 (PDB entries with the same primary citation)
DOI: 10.1021/cb800039y
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.300282.2%6.6%6.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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