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[[Image:1zog.gif|left|200px]]


{{Structure
==Crystal structure of protein kinase CK2 in complex with TBB-derivatives==
|PDB= 1zog |SIZE=350|CAPTION= <scene name='initialview01'>1zog</scene>, resolution 2.30&Aring;
<StructureSection load='1zog' size='340' side='right'caption='[[1zog]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=K37:4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE'>K37</scene>
<table><tr><td colspan='2'>[[1zog]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZOG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZOG FirstGlance]. <br>
|ACTIVITY= [http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1]  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
|GENE= ACK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4577 Zea mays])
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K37:4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE'>K37</scene></td></tr>
}}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1zog FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zog OCA], [https://pdbe.org/1zog PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zog RCSB], [https://www.ebi.ac.uk/pdbsum/1zog PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zog ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CSK2A_MAIZE CSK2A_MAIZE] Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. The alpha chain contains the catalytic site.
== 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/zo/1zog_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=1zog ConSurf].
<div style="clear:both"></div>


'''Crystal structure of protein kinase CK2 in complex with TBB-derivatives'''
==See Also==
 
*[[Casein kinase 3D structures|Casein kinase 3D structures]]
 
__TOC__
==Overview==
</StructureSection>
CK2 is a very pleiotropic protein kinase whose high constitutive activity is suspected to cooperate to neoplasia. Here, the crystal structure of the complexes between CK2 and three selective tetrabromo-benzimidazole derivatives inhibiting CK2 with Ki values between 40 and 400 nM are presented. The ligands bind to the CK2 active site in a different way with respect to the parent compound TBB. They enter more deeply into the cavity, establishing halogen bonds with the backbone of Glu114 and Val116 in the hinge region. A detailed analysis of the interactions highlights a major role of the hydrophobic effect in establishing the rank of potency within this class of inhibitors and shows that polar interactions are responsible for the different orientation of the molecules in the active site.
[[Category: Large Structures]]
 
==About this Structure==
1ZOG is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZOG OCA].
 
==Reference==
Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole., Battistutta R, Mazzorana M, Sarno S, Kazimierczuk Z, Zanotti G, Pinna LA, Chem Biol. 2005 Nov;12(11):1211-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16298300 16298300]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Single protein]]
[[Category: Zea mays]]
[[Category: Zea mays]]
[[Category: Battistutta, R.]]
[[Category: Battistutta R]]
[[Category: Kazimierczuk, Z.]]
[[Category: Kazimierczuk Z]]
[[Category: Mazzorana, M.]]
[[Category: Mazzorana M]]
[[Category: Pinna, L A.]]
[[Category: Pinna LA]]
[[Category: Sarno, S.]]
[[Category: Sarno S]]
[[Category: Zanotti, G.]]
[[Category: Zanotti G]]
[[Category: K37]]
[[Category: inhibitor]]
[[Category: pharmacophore]]
[[Category: protein kinase ck2]]
[[Category: tbb]]
[[Category: tetrabromo-benzimidazole]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:37:58 2008''

Latest revision as of 12:06, 14 February 2024

Crystal structure of protein kinase CK2 in complex with TBB-derivativesCrystal structure of protein kinase CK2 in complex with TBB-derivatives

Structural highlights

1zog is a 1 chain structure with sequence from Zea mays. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.3Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CSK2A_MAIZE Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. The alpha chain contains the catalytic site.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1zog, resolution 2.30Å

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