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; PubMed: 23935099; DOI: 10.1074/jbc.M113.474114

Experimental method

X-RAY DIFFRACTION (2.18 Å)