1eh4: Difference between revisions

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[[Image:1eh4.jpg|left|200px]]


{{Structure
==BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261==
|PDB= 1eh4 |SIZE=350|CAPTION= <scene name='initialview01'>1eh4</scene>, resolution 2.80&Aring;
<StructureSection load='1eh4' size='340' side='right'caption='[[1eh4]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|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>
<table><tr><td colspan='2'>[[1eh4]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Schizosaccharomyces_pombe Schizosaccharomyces pombe]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EH4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1EH4 FirstGlance]. <br>
|ACTIVITY=  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.8&#8491;</td></tr>
|GENE=  
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IC1:3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE'>IC1</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1eh4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1eh4 OCA], [https://pdbe.org/1eh4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1eh4 RCSB], [https://www.ebi.ac.uk/pdbsum/1eh4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1eh4 ProSAT]</span></td></tr>
|RELATEDENTRY=[[1csn|1CSN]], [[2csn|2CSN]]
</table>
|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>
== Function ==
}}
[https://www.uniprot.org/uniprot/CKI1_SCHPO CKI1_SCHPO] Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/eh/1eh4_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1eh4 ConSurf].
<div style="clear:both"></div>


'''BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261'''
==See Also==
 
*[[Casein kinase 3D structures|Casein kinase 3D structures]]
 
__TOC__
==Overview==
</StructureSection>
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.
[[Category: Large Structures]]
 
==About this Structure==
1EH4 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=1EH4 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:[http://www.ncbi.nlm.nih.gov/pubmed/10749871 10749871]
[[Category: Schizosaccharomyces pombe]]
[[Category: Schizosaccharomyces pombe]]
[[Category: Single protein]]
[[Category: Bergmeier SC]]
[[Category: Bergmeier, S C.]]
[[Category: Demaggio AJ]]
[[Category: Demaggio, A J.]]
[[Category: Egli M]]
[[Category: Egli, M.]]
[[Category: Hoekstra MF]]
[[Category: Hoekstra, M F.]]
[[Category: Kuret J]]
[[Category: Kuret, J.]]
[[Category: Mashhoon N]]
[[Category: Mashhoon, N.]]
[[Category: Tereshko V]]
[[Category: Tereshko, V.]]
[[Category: casein kinase-1]]
[[Category: protein kinase]]
[[Category: protein-inhibitor binary complex]]
 
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Retrieved from "https://proteopedia.org/1eh4"