3ET7

Crystal structure of PYK2 complexed with PF-2318841

Summary for 3ET7

• Entry DOI: 10.2210/pdb3et7/pdb
• Descriptor: Protein tyrosine kinase 2 beta, 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: kinase, alternative splicing, atp-binding, cell membrane, cytoplasm, membrane, nucleotide-binding, phosphoprotein, polymorphism, transferase, tyrosine-protein kinase, signaling protein
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q14289
• Total number of polymer chains: 1
• Total formula weight: 32815.81

Authors

Han, S. (deposition date: 2008-10-07, release date: 2009-06-23, Last modification date: 2023-12-27)

• Primary citation: Walker, D.P.,Bi, F.C.,Kalgutkar, A.S.,Bauman, J.N.,Zhao, S.X.,Soglia, J.R.,Aspnes, G.E.,Kung, D.W.,Klug-McLeod, J.,Zawistoski, M.P.,McGlynn, M.A.,Oliver, R.,Dunn, M.,Li, J.C.,Richter, D.T.,Cooper, B.A.,Kath, J.C.,Hulford, C.A.,Autry, C.L.,Luzzio, M.J.,Ung, E.J.,Roberts, W.G.,Bonnette, P.C.,Buckbinder, L.,Mistry, A.,Griffor, M.C.,Han, S.,Guzman-Perez, A.; Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation.; Bioorg.Med.Chem.Lett., 18:6071-6077, 2008; PubMed: 18951788; DOI: 10.1016/j.bmcl.2008.10.030

Experimental method

X-RAY DIFFRACTION (2.7 Å)