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1eh4
From Proteopedia
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|PDB= 1eh4 |SIZE=350|CAPTION= <scene name='initialview01'>1eh4</scene>, resolution 2.80Å | |PDB= 1eh4 |SIZE=350|CAPTION= <scene name='initialview01'>1eh4</scene>, resolution 2.80Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=IC1:3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE'>IC1</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1csn|1CSN]], [[2csn|2CSN]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1eh4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1eh4 OCA], [http://www.ebi.ac.uk/pdbsum/1eh4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1eh4 RCSB]</span> | ||
}} | }} | ||
| Line 29: | Line 32: | ||
[[Category: Mashhoon, N.]] | [[Category: Mashhoon, N.]] | ||
[[Category: Tereshko, V.]] | [[Category: Tereshko, V.]] | ||
| - | [[Category: IC1]] | ||
| - | [[Category: SO4]] | ||
[[Category: casein kinase-1]] | [[Category: casein kinase-1]] | ||
[[Category: protein kinase]] | [[Category: protein kinase]] | ||
[[Category: protein-inhibitor binary complex]] | [[Category: protein-inhibitor binary complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:02:28 2008'' |
Revision as of 17:02, 30 March 2008
| |||||||
| , resolution 2.80Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Related: | 1CSN, 2CSN
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261
Overview
Members of the casein kinase-1 family of protein kinases play an essential role in cell regulation and disease pathogenesis. Unlike most protein kinases, they appear to function as constitutively active enzymes. As a result, selective pharmacological inhibitors can play an important role in dissection of casein kinase-1-dependent processes. To address this need, new small molecule inhibitors of casein kinase-1 acting through ATP-competitive and ATP-noncompetitive mechanisms were isolated on the basis of in vitro screening. Here we report the crystal structure of 3-[(2,4,6-trimethoxyphenyl) methylidenyl]-indolin-2-one (IC261), an ATP-competitive inhibitor with differential activity among casein kinase-1 isoforms, in complex with the catalytic domain of fission yeast casein kinase-1 refined to a crystallographic R-factor of 22.4% at 2.8 A resolution. The structure reveals that IC261 stabilizes casein kinase-1 in a conformation midway between nucleotide substrate liganded and nonliganded conformations. We propose that adoption of this conformation by casein kinase-1 family members stabilizes a delocalized network of side chain interactions and results in a decreased dissociation rate of inhibitor.
About this Structure
1EH4 is a Single protein structure of sequence from Schizosaccharomyces pombe. Full crystallographic information is available from OCA.
Reference
Crystal structure of a conformation-selective casein kinase-1 inhibitor., Mashhoon N, DeMaggio AJ, Tereshko V, Bergmeier SC, Egli M, Hoekstra MF, Kuret J, J Biol Chem. 2000 Jun 30;275(26):20052-60. PMID:10749871
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