4KIO
Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor
Summary for 4KIO
Entry DOI | 10.2210/pdb4kio/pdb |
Descriptor | Tyrosine-protein kinase ITK/TSK, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one, ... (6 entities in total) |
Functional Keywords | kinase domain, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: Q08881 |
Total number of polymer chains | 4 |
Total formula weight | 123671.14 |
Authors | Somers, D.O. (deposition date: 2013-05-02, release date: 2013-08-21, Last modification date: 2014-02-12) |
Primary citation | Harling, J.D.,Deakin, A.M.,Campos, S.,Grimley, R.,Chaudry, L.,Nye, C.,Polyakova, O.,Bessant, C.M.,Barton, N.,Somers, D.,Barrett, J.,Graves, R.H.,Hanns, L.,Kerr, W.J.,Solari, R. Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket. J.Biol.Chem., 288:28195-28206, 2013 Cited by PubMed: 23935099DOI: 10.1074/jbc.M113.474114 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.18 Å) |
Structure validation
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