4AW0

Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket

Summary for 4AW0

Related1H1W 1OKY 1OKZ 1UU3 1UU7 1UU8 1UU9 1UVR 1W1D 1W1G 1W1H 1Z5M 2BIY 2VKI 2XCH 2XCK 4A06 4A07 4AW1
Descriptor3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, [(1R)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid, ... (7 entities in total)
Functional Keywordstransferase, allosteric regulation, allosteric site, phosphorylation, agc protein kinase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm O15530
Total number of polymer chains1
Total molecular weight36601.61
Authors
Schulze, J.O.,Busschots, K.,Lopez-Garcia, L.A.,Lammi, C.,Stroba, A.,Zeuzem, S.,Piiper, A.,Alzari, P.M.,Neimanis, S.,Arencibia, J.M.,Engel, M.,Biondi, R.M. (deposition date: 2012-05-30, release date: 2012-10-03, Last modification date: 2012-10-10)
Primary citation
Busschots, K.,Lopez-Garcia, L.A.,Lammi, C.,Stroba, A.,Zeuzem, S.,Piiper, A.,Alzari, P.M.,Neimanis, S.,Arencibia, J.M.,Engel, M.,Schulze, J.O.,Biondi, R.M.
Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19:1152-, 2012
PubMed: 22999883 (PDB entries with the same primary citation)
DOI: 10.1016/J.CHEMBIOL.2012.07.017
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.43 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.183802.2%0.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution