4QD6

ITK kinase domain in complex with inhibitor compound

Summary for 4QD6

• Entry DOI: 10.2210/pdb4qd6/pdb
• Related: 4MF0 4MF1
• Descriptor: Tyrosine-protein kinase ITK/TSK, trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol (3 entities in total)
• Functional Keywords: protein kinase, phosphotransfer catalyst, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : Q08881
• Total number of polymer chains: 2
• Total formula weight: 61408.16

Authors

McEwan, P.A.,Barker, J.J.,Eigenbrot, C. (deposition date: 2014-05-13, release date: 2015-01-14, Last modification date: 2024-02-28)

• Primary citation: Trani, G.,Barker, J.J.,Bromidge, S.M.,Brookfield, F.A.,Burch, J.D.,Chen, Y.,Eigenbrot, C.,Heifetz, A.,Ismaili, M.H.,Johnson, A.,Krulle, T.M.,MacKinnon, C.H.,Maghames, R.,McEwan, P.A.,Montalbetti, C.A.,Ortwine, D.F.,Perez-Fuertes, Y.,Vaidya, D.G.,Wang, X.,Zarrin, A.A.,Pei, Z.; Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK).; Bioorg.Med.Chem.Lett., 24:5818-5823, 2014; PubMed: 25455497; DOI: 10.1016/j.bmcl.2014.10.020

Experimental method

X-RAY DIFFRACTION (2.45 Å)