2jsc: Difference between revisions

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OCA

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-[[Image:2jsc.jpg|left|200px]]<br /><applet load="2jsc" size="350" color="white" frame="true" align="right" spinBox="true"
-caption="2jsc" />
-'''NMR structure of the cadmium metal-sensor CMTR from Mycobacterium tuberculosis'''<br />
-==Overview==
+==NMR structure of the cadmium metal-sensor CMTR from Mycobacterium tuberculosis==
-CmtR from Mycobacterium tuberculosis is a winged helical DNA-binding, repressor of the ArsR-SmtB metal-sensing family that senses cadmium and, lead. Cadmium-CmtR is a dimer with the metal bound to Cys102 from the, carboxyl-terminal region of one subunit and two Cys associated with helix, alphaR from the other sub-unit, forming a symmetrical pair of, cadmium-binding sites. This is a significant novelty in the ArsR-SmtB, family. The structure of the dimer could be solved at 312K. The apo, protein at the same temperature is still a dimer but it experiences a, large conformational exchange at the dimer interface and within each, monomer. This is monitored by an overall decrease of the number of NOEs, and by an increase of H2O-D2O exchange rates, especially at the dimeric, interface, in the apo form with respect to the Cd-bound state. The, C-terminal tail region is completely unstructured in both apo and cadmium, forms but becomes less mobile in the cadmium-bound protein due to the, recruitment of Cys102 as a metal-ligand. DNA binds to the apo dimer with a, ratio 1:3 at mM concentration. Addition of cadmium to the apo-CmtR DNA, complex causes DNA detachment, restoring the NMR spectrum of free, cadmium-CmtR. Cadmium-binding across the dimer interface impairs, DNA-association by excluding the apo-conformers suited to bind DNA.
+<StructureSection load='2jsc' size='340' side='right'caption='[[2jsc]]' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2jsc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JSC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2JSC FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CD:CADMIUM+ION'>CD</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=2jsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jsc OCA], [https://pdbe.org/2jsc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2jsc RCSB], [https://www.ebi.ac.uk/pdbsum/2jsc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2jsc ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/CMTR_MYCTU CMTR_MYCTU] Metal-responsive transcriptional repressor for the cmt operon. Binding of cadmium or lead causes the repressor to dissociate from the DNA.<ref>PMID:12939264</ref> <ref>PMID:15966722</ref>
+== 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/js/2jsc_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=2jsc ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+CmtR from Mycobacterium tuberculosis is a winged helical DNA-binding repressor of the ArsR-SmtB metal-sensing family that senses cadmium and lead. Cadmium-CmtR is a dimer with the metal bound to Cys-102 from the C-terminal region of one subunit and two Cys associated with helix alphaR from the other subunit, forming a symmetrical pair of cadmium-binding sites. This is a significant novelty in the ArsR-SmtB family. The structure of the dimer could be solved at 312 K. The apoprotein at the same temperature is still a dimer, but it experiences a large conformational exchange at the dimer interface and within each monomer. This is monitored by an overall decrease of the number of nuclear Overhauser effects and by an increase of H(2)O-D(2)O exchange rates, especially at the dimeric interface, in the apo form with respect to the cadmium-bound state. The C-terminal tail region is completely unstructured in both apo and cadmium forms but becomes less mobile in the cadmium-bound protein due to the recruitment of Cys-102 as a metal-ligand. DNA binds to the apo dimer with a ratio 1:3 at millimolar concentration. Addition of cadmium to the apo-CmtR-DNA complex causes DNA detachment, restoring the NMR spectrum of free cadmium-CmtR. Cadmium binding across the dimer interface impairs DNA association by excluding the apo-conformers suited to bind DNA.
-==About this Structure==
+NMR structural analysis of cadmium sensing by winged helix repressor CmtR.,Banci L, Bertini I, Cantini F, Ciofi-Baffoni S, Cavet JS, Dennison C, Graham AI, Harvie DR, Robinson NJ J Biol Chem. 2007 Oct 12;282(41):30181-8. Epub 2007 Jun 27. PMID:17599915<ref>PMID:17599915</ref>
-JSC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis] with <scene name='pdbligand=CD:'>CD</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JSC OCA].
-==Reference==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-NMR structural analysis of cadmium-sensing by winged helix repressor CMTR., Banci L, Bertini I, Cantini F, Ciofi-Baffoni S, Cavet JS, Dennison C, Graham A, Harvie DR, Robinson NJ, J Biol Chem. 2007 Jun 27;. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17599915 17599915]
+</div>
-[[Category: Mycobacterium tuberculosis]]
+<div class="pdbe-citations 2jsc" style="background-color:#fffaf0;"></div>
-[[Category: Single protein]]
+== References ==
-[[Category: Banci, L.]]
+<references/>
-[[Category: Bertini, I.]]
+__TOC__
-[[Category: Cantini, F.]]
+</StructureSection>
-[[Category: Cavet, J.S.]]
+[[Category: Large Structures]]
-[[Category: Ciofi-Baffoni, S.]]
+[[Category: Mycobacterium tuberculosis H37Rv]]
-[[Category: Dennison, C.]]
+[[Category: Banci L]]
-[[Category: Graham, A.I.]]
+[[Category: Bertini I]]
-[[Category: Harvie, D.R.]]
+[[Category: Cantini F]]
-[[Category: Robinson, N.J.]]
+[[Category: Cavet JS]]
-[[Category: SPINE, Structural.Proteomics.in.Europe.]]
+[[Category: Ciofi-Baffoni S]]
-[[Category: CD]]
+[[Category: Dennison C]]
-[[Category: cadmium]]
+[[Category: Graham AI]]
-[[Category: nmr]]
+[[Category: Harvie DR]]
-[[Category: solution structure]]
+[[Category: Robinson NJ]]
-[[Category: spine]]
-[[Category: structural genomics]]
-[[Category: structural proteomics in europe]]
-[[Category: transcriptional repressor]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 12:32:15 2008''