1zog: Difference between revisions

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-[[Image:1zog.gif|left|200px]]<br /><applet load="1zog" size="350" color="white" frame="true" align="right" spinBox="true"
-caption="1zog, resolution 2.30&Aring;" />
-'''Crystal structure of protein kinase CK2 in complex with TBB-derivatives'''<br />
-==Overview==
+==Crystal structure of protein kinase CK2 in complex with TBB-derivatives==
-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.
+<StructureSection load='1zog' size='340' side='right'caption='[[1zog]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+== Structural highlights ==
+<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>
+</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>
+<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>
-==About this Structure==
+==See Also==
-ZOG is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Zea_mays Zea mays] with <scene name='pdbligand=K37:'>K37</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZOG OCA].
+*[[Casein kinase 3D structures|Casein kinase 3D structures]]
+__TOC__
-==Reference==
+</StructureSection>
-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://ispc.weizmann.ac.il//pmbin/getpm?pmid=16298300 16298300]
+[[Category: Large Structures]]
-[[Category: Non-specific serine/threonine protein kinase]]
-[[Category: Single protein]]
 [[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: inhibitors]]
-[[Category: pharmacophore]]
-[[Category: protein kinase ck2]]
-[[Category: tbb]]
-[[Category: tetrabromo-benzimidazole]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:17:34 2008''