5P9M

BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059

Summary for 5P9M

Group depositionCrystal structures of Tyrosine-protein kinase BTK in complex with inhibitors (G_1002011)
DescriptorTyrosine-protein kinase BTK, 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywordskinase, kinase-ligand complex, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm Q06187
Total number of polymer chains1
Total molecular weight32860.7
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 (1.41 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.210100.9%6.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5p9m
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Molmil generated image of 5p9m
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Molmil generated image of 5p9m
rotated about y axis by 90°
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