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 Cited by PubMed: 25455497DOI: 10.1016/j.bmcl.2014.10.020 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.45 Å) |
Structure validation
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