3ZC6

Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor

Summary for 3ZC6

• Entry DOI: 10.2210/pdb3zc6/pdb
• Descriptor: TYROSINE-PROTEIN KINASE JAK3, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, DI(HYDROXYETHYL)ETHER, ... (6 entities in total)
• Functional Keywords: transferase, scid, severe combined immunodeficiency, stat5, stat6, interleukin-2, common-gamma chain, atp site kinase inhibitor, cancer
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Endomembrane system; Peripheral membrane protein (By similarity): P52333
• Total number of polymer chains: 4
• Total formula weight: 134422.32

Authors

Kuglstatter, A.,Jestel, A.,Nagel, S.,Boettcher, J.,Blaesse, M. (deposition date: 2012-11-16, release date: 2013-09-25)

• Primary citation: Lynch, S.M.,Devicente, J.,Hermann, J.C.,Jaime-Figueroa, S.,Jin, S.,Kuglstatter, A.,Li, H.,Lovey, A.,Menke, J.,Niu, L.,Patel, V.,Roy, D.,Soth, M.,Steiner, S.,Tivitmahaisoon, P.,Vu, M.D.,Yee, C.; Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.; Bioorg.Med.Chem.Lett., 23:2793-, 2013; PubMed: 23540648; DOI: 10.1016/J.BMCL.2013.02.012

Experimental method

X-RAY DIFFRACTION (2.42 Å)