2XCK

Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor

Summary for 2XCK

Related1UU8 1OKY 1Z5M 1UU9 1OKZ 1W1D 2XCH 1H1W 2VKI 1UU3 1W1G 2BIY 1W1H 1UU7 1UVR
Descriptor3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, GLYCEROL, ... (5 entities in total)
Functional Keywordspi3-kinase signalling, transferase, atp-binding, serine/threonine-protein kinase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm O15530
Total number of polymer chains1
Total molecular weight36609.78
Authors
Angiolini, M.,Banfi, P.,Casale, E.,Casuscelli, F.,Fiorelli, C.,Saccardo, M.B.,Silvagni, M.,Zuccotto, F. (deposition date: 2010-04-23, release date: 2010-07-28, Last modification date: 2011-07-13)
Primary citation
Angiolini, M.,Banfi, P.,Casale, E.,Casuscelli, F.,Fiorelli, C.,Saccardo, M.B.,Silvagni, M.,Zuccotto, F.
Structure-Based Optimization of Potent Pdk1 Inhibitors.
Bioorg.Med.Chem.Lett., 20:4095-, 2010
PubMed: 20621725 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2010.05.070
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23490.4%4.1%5.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution