4RA5

Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)

Summary for 4RA5

• Entry DOI: 10.2210/pdb4ra5/pdb
• Related: 4Q9S 4Q9Z 4RA4
• Descriptor: HUMAN PROTEIN KINASE C THETA, (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, SODIUM ION, ... (5 entities in total)
• Functional Keywords: pkc theta kinase, kinase domain, proteros biostructures gmbh, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q04759
• Total number of polymer chains: 2
• Total formula weight: 80151.14

Authors

Argiriadi, M.A.,George, D.M. (deposition date: 2014-09-09, release date: 2014-10-08, Last modification date: 2015-02-04)

• Primary citation: George, D.M.,Breinlinger, E.C.,Argiriadi, M.A.,Zhang, Y.,Wang, J.,Bansal-Pakala, P.,Duignan, D.B.,Honore, P.,Lang, Q.,Mittelstadt, S.,Rundell, L.,Schwartz, A.,Sun, J.,Edmunds, J.J.; Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.; J.Med.Chem., 58:333-346, 2015; PubMed: 25254961; DOI: 10.1021/jm5013006

Experimental method

X-RAY DIFFRACTION (2.61 Å)