3H3C

Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog

Summary for 3H3C

Entry DOI	10.2210/pdb3h3c/pdb
Descriptor	Protein tyrosine kinase 2 beta, SULFATE ION, 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, ... (4 entities in total)
Functional Keywords	pyk2, kinase, alternative splicing, atp-binding, cell membrane, cytoplasm, membrane, nucleotide-binding, phosphoprotein, polymorphism, transferase, tyrosine-protein kinase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q14289
Total number of polymer chains	1
Total formula weight	33129.14
Authors	Han, S.,Mistry, A. (deposition date: 2009-04-16, release date: 2009-05-26, Last modification date: 2024-02-21)
Primary citation	Walker, D.P.,Zawistoski, M.P.,McGlynn, M.A.,Li, J.C.,Kung, D.W.,Bonnette, P.C.,Baumann, A.,Buckbinder, L.,Houser, J.A.,Boer, J.,Mistry, A.,Han, S.,Xing, L.,Guzman-Perez, A. Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity. Bioorg.Med.Chem.Lett., 19:3253-3258, 2009 Cited by PubMed: 19428251 DOI: 10.1016/j.bmcl.2009.04.093 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation