3HUB

Human p38 MAP Kinase in Complex with Scios-469

Summary for 3HUB

Related3GCP 3GCQ 3GCS 3GCU 3GCV 3HUC
DescriptorMitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, ... (4 entities in total)
Functional Keywordsdfg-in, glycine-rich loop, scios-469, alternative splicing, atp-binding, cytoplasm, kinase, nucleotide-binding, nucleus, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm (By similarity) Q16539
Total number of polymer chains1
Total molecular weight42040.35
Authors
Gruetter, C.,Simard, J.R.,Rauh, D. (deposition date: 2009-06-13, release date: 2010-03-09, Last modification date: 2011-07-13)
Primary citation
Simard, J.R.,Getlik, M.,Grutter, C.,Schneider, R.,Wulfert, S.,Rauh, D.
Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132:4152-4160, 2010
PubMed: 20201574 (PDB entries with the same primary citation)
DOI: 10.1021/ja908083e
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.25 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2871106.1%0.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution