2csn

BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7

Structural highlights 2csn is a 1 chain structure with sequence from Cbs 356. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: , Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum Function [CKI1_SCHPO] Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed A large family of isoquinoline sulfonamide compounds inhibits protein kinases by competing with adenosine triphosphates(ATP), yet interferes little with the activity of other ATP-using enzymes such as ATPases and adenylate cyclases. One such compound, N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (CK17), is selective for casein kinase-1 isolated from a variety of sources. Here we report the crystal structure of the catalytic domain of Schizosaccharomyces pombe casein kinase-1 complexed with CK17, refined to a crystallographic R-factor of 17.8% at 2.5 angstrom resolution. The structure provides new insights into the mechanism of the ATP-competing inhibition and the origin of their selectivity toward different protein kinases. Selectivity for protein kinases versus other enzymes is achieved by hydrophobic contacts and the hydrogen bond with isoquinoline ring. We propose that the hydrogen bond involving the ring nitrogen-2 atom of the isoquinoline must be preserved, but that the ring can flip depending on the chemical substituents at ring positions 5 and 8. Selectivity for individual members of the protein kinase family is achieved primarily by interactions with these substituents. Structural basis for selectivity of the isoquinoline sulfonamide family of protein kinase inhibitors.,Xu RM, Carmel G, Kuret J, Cheng X Proc Natl Acad Sci U S A. 1996 Jun 25;93(13):6308-13. PMID:8692811 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Casein kinase

spinqualitylabelsall models 2csn, resolution 2.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image