2csn: Difference between revisions
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'''BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7''' | {{Structure | ||
|PDB= 2csn |SIZE=350|CAPTION= <scene name='initialview01'>2csn</scene>, resolution 2.50Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=CKI:N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE'>CKI</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2CSN is a [ | 2CSN is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Schizosaccharomyces_pombe Schizosaccharomyces pombe]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CSN OCA]. | ||
==Reference== | ==Reference== | ||
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:[http:// | 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:[http://www.ncbi.nlm.nih.gov/pubmed/8692811 8692811] | ||
[[Category: Schizosaccharomyces pombe]] | [[Category: Schizosaccharomyces pombe]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: casein kinase-1]] | [[Category: casein kinase-1]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:19:22 2008'' | ||
Revision as of 17:19, 20 March 2008
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| Coordinates: | save as pdb, mmCIF, xml | ||||||
BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7
OverviewOverview
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.
About this StructureAbout this Structure
2CSN is a Single protein structure of sequence from Schizosaccharomyces pombe. Full crystallographic information is available from OCA.
ReferenceReference
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
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