5P9F

BTK IN COMPLEX WITH GDC-0834

Summary for 5P9F

Group depositionCrystal structures of Tyrosine-protein kinase BTK in complex with inhibitors (G_1002011)
DescriptorTyrosine-protein kinase BTK, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywordslead optimization, protein kinase, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm Q06187
Total number of polymer chains1
Total molecular weight33263.18
Authors
Gardberg, A.S. (deposition date: 2016-09-20, release date: 2017-05-24, Last modification date: 2018-02-21)
Primary citation
Bender, A.T.,Gardberg, A.,Pereira, A.,Johnson, T.,Wu, Y.,Grenningloh, R.,Head, J.,Morandi, F.,Haselmayer, P.,Liu-Bujalski, L.
Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91:208-219, 2017
PubMed: 28062735 (PDB entries with the same primary citation)
DOI: 10.1124/mol.116.107037
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.71 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.224100.4%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5p9f
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Molmil generated image of 5p9f
rotated about x axis by 90°
Molmil generated image of 5p9f
rotated about y axis by 90°
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