3RWQ

Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)

Summary for 3RWQ

Related3RWP 3SC1
Descriptor3-phosphoinositide-dependent protein kinase 1, [4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone, GLYCEROL, ... (5 entities in total)
Functional Keywordskinase domain, transferase, phosphoserine: sep, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm O15530
Total number of polymer chains1
Total molecular weight36906.91
Authors
Kazmirski, S.,Kohls, D. (deposition date: 2011-05-09, release date: 2011-11-16, Last modification date: 2011-12-28)
Primary citation
Murphy, S.T.,Alton, G.,Bailey, S.,Baxi, S.M.,Burke, B.J.,Chappie, T.A.,Ermolieff, J.,Ferre, R.,Greasley, S.,Hickey, M.,Humphrey, J.,Kablaoui, N.,Kath, J.,Kazmirski, S.,Kraus, M.,Kupchinsky, S.,Li, J.,Lingardo, L.,Marx, M.A.,Richter, D.,Tanis, S.P.,Tran, K.,Vernier, W.,Xie, Z.,Yin, M.J.,Yu, X.H.
Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54:8490-8500, 2011
PubMed: 22040023 (PDB entries with the same primary citation)
DOI: 10.1021/jm201019k
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.55 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25671.4%4.8%3.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution