5VGO

Bruton's tyrosine kinase (BTK) with compound G-744

Summary for 5VGO

Related5VFI
DescriptorTyrosine-protein kinase BTK, SULFATE ION, GLYCEROL, ... (6 entities in total)
Functional Keywordsprotein kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm Q06187
Total number of polymer chains1
Total molecular weight32932.84
Authors
Yu, C.,Eigenbrot, C. (deposition date: 2017-04-11, release date: 2017-07-05)
Primary citation
Wang, X.,Barbosa, J.,Blomgren, P.,Bremer, M.C.,Chen, J.,Crawford, J.J.,Deng, W.,Dong, L.,Eigenbrot, C.,Gallion, S.,Hau, J.,Hu, H.,Johnson, A.R.,Katewa, A.,Kropf, J.E.,Lee, S.H.,Liu, L.,Lubach, J.W.,Macaluso, J.,Maciejewski, P.,Mitchell, S.A.,Ortwine, D.F.,DiPaolo, J.,Reif, K.,Scheerens, H.,Schmitt, A.,Wong, H.,Xiong, J.M.,Xu, J.,Zhao, Z.,Zhou, F.,Currie, K.S.,Young, W.B.
Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.
ACS Med Chem Lett, 8:608-613, 2017
PubMed: 28626519 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.7b00103
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.621 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.184500.4%2.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5vgo
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Molmil generated image of 5vgo
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Molmil generated image of 5vgo
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