4Z3V

Fragment-Based Discovery of a Small Molecule Reversible Inhibitor of Bruton's Tyrosine Kinase

Summary for 4Z3V

DescriptorTyrosine-protein kinase BTK, IMIDAZOLE, ISOPROPYL ALCOHOL, ... (6 entities in total)
Functional Keywordscytoplasmic tyrosine kinase, transcriptional regulation, nuclear factor-kappab, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm Q06187
Total number of polymer chains1
Total molecular weight33269.17
Authors
Dougan, D.R. (deposition date: 2015-03-31, release date: 2015-07-01, Last modification date: 2015-08-05)
Primary citation
Smith, C.R.,Dougan, D.R.,Komandla, M.,Kanouni, T.,Knight, B.,Lawson, J.D.,Sabat, M.,Taylor, E.R.,Vu, P.,Wyrick, C.
Fragment-Based Discovery of a Small Molecule Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 58:5437-5444, 2015
PubMed: 26087137 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.5b00734
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.6 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.197100.4%0.4%3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4z3v
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Molmil generated image of 4z3v
rotated about x axis by 90°
Molmil generated image of 4z3v
rotated about y axis by 90°
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