Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Summary for 3WF7

Related3WE4 3WF5 3WF6 3WF8 3WF9
DescriptorRibosomal protein S6 kinase beta-1, ZINC ION, 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, ... (5 entities in total)
Functional Keywordsserine/threonine protein kinase domain, transferase, phosphorylation, atp-binding, zinc-binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCell junction, synapse, synaptosome . Isoform Alpha I: Nucleus. Isoform Alpha II: Cytoplasm P23443
Total number of polymer chains1
Total molecular weight37726.68
Niwa, H.,Shirouzu, M.,Yokoyama, S. (deposition date: 2013-07-17, release date: 2014-08-06, Last modification date: 2014-10-29)
Primary citation
Niwa, H.,Mikuni, J.,Sasaki, S.,Tomabechi, Y.,Honda, K.,Ikeda, M.,Ohsawa, N.,Wakiyama, M.,Handa, N.,Shirouzu, M.,Honma, T.,Tanaka, A.,Yokoyama, S.
Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15:153-164, 2014
PubMed: 25078151 (PDB entries with the same primary citation)
DOI: 10.1007/s10969-014-9188-8
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.228200.8%4.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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