1j91: Difference between revisions

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-[[Image:1j91.gif|left|200px]]<br /><applet load="1j91" size="450" color="white" frame="true" align="right" spinBox="true"
-caption="1j91, resolution 2.22&Aring;" />
-'''Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,5,6,7-tetrabromobenzotriazole'''<br />
-==Overview==
+==Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,5,6,7-tetrabromobenzotriazole==
-Two novel crystal structures of Zea mays protein kinase CK2alpha catalytic, subunit, one in complex with the specific inhibitor, 4,5,6,7-tetrabromobenzotriazole (TBB) and another in the apo-form, were, solved at 2.2 A resolution. These structures were compared with those of, the enzyme in presence of ATP and GTP (the natural cosubstrates) and the, inhibitor emodin. Interaction of TBB with the active site of CK2alpha is, mainly due to van der Waals contacts, with the ligand fitting almost, perfectly the cavity. One nitrogen of the five-membered ring interacts, with two charged residues, Glu 81 and Lys 68, in the depth of the cavity, through two water molecules. These are buried in the active site and are, also generally found in the structures of CK2alpha enzyme analyzed so far, with the exception of the complex with emodin. In the N-terminal lobe, the, position of helix alphaC is particularly well preserved in all the, structures examined; the Gly-rich loop is displaced from the intermediate, position it has in the apo-form and in the presence of the natural, cosubstrates (ATP/GTP) to either an upper (with TBB) or a lower position, (with emodin). The selectivity of TBB for CK2 appears to be mainly, dictated by the reduced size of the active site which in most other, protein kinases is too large for making stable interactions with this, inhibitor.
+<StructureSection load='1j91' size='340' side='right'caption='[[1j91]], [[Resolution|resolution]] 2.22&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1j91]] is a 2 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=1J91 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1J91 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]] 2.22&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=TBS:4,5,6,7-TETRABROMOBENZOTRIAZOLE'>TBS</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=1j91 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1j91 OCA], [https://pdbe.org/1j91 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1j91 RCSB], [https://www.ebi.ac.uk/pdbsum/1j91 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1j91 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/j9/1j91_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=1j91 ConSurf].
+<div style="clear:both"></div>
-==About this Structure==
+==See Also==
-J91 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 TBS 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://ispc.weizmann.ac.il/oca-bin/ocashort?id=1J91 OCA].
+*[[Casein kinase 3D structures|Casein kinase 3D structures]]
+__TOC__
-==Reference==
+</StructureSection>
-Structural features underlying selective inhibition of protein kinase CK2 by ATP site-directed tetrabromo-2-benzotriazole., Battistutta R, De Moliner E, Sarno S, Zanotti G, Pinna LA, Protein Sci. 2001 Nov;10(11):2200-6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11604527 11604527]
+[[Category: Large Structures]]
-[[Category: Non-specific serine/threonine protein kinase]]
-[[Category: Single protein]]
 [[Category: Zea mays]]
-[[Category: Battistutta, R.]]
+[[Category: Battistutta R]]
-[[Category: Moliner, E.De.]]
+[[Category: De Moliner E]]
-[[Category: Pinna, L.A.]]
+[[Category: Pinna LA]]
-[[Category: Sarno, S.]]
+[[Category: Sarno S]]
-[[Category: Zanotti, G.]]
+[[Category: Zanotti G]]
-[[Category: TBS]]
-[[Category: casein kinase 2]]
-[[Category: ck2]]
-[[Category: inhibitors]]
-[[Category: tetrabromo-benzotriazole]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:01:03 2007''