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1pm7

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(New page: 200px<br /><applet load="1pm7" size="450" color="white" frame="true" align="right" spinBox="true" caption="1pm7, resolution 2.20&Aring;" /> '''RmlC (dTDP-6-DEOXY-D...)
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[[Image:1pm7.gif|left|200px]]<br /><applet load="1pm7" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1pm7, resolution 2.20&Aring;" />
 
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'''RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.'''<br />
 
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==Overview==
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==RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.==
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The emergence of multi-drug resistant tuberculosis, coupled with the, increasing overlap of the AIDS and tuberculosis pandemics has brought, tuberculosis to the forefront as a major worldwide health concern. In an, attempt to find new inhibitors of the enzymes in the essential rhamnose, biosynthetic pathway, a virtual library of 2,3,5, trisubstituted-4-thiazolidinones was created. These compounds were then, docked into the active site cavity of 6'hydroxyl;, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase (RmlC) from Mycobacterium, tuberculosis. The resulting docked conformations were consensus scored and, the top 5% were slated for synthesis. Thus far, 94 compounds have been, successfully synthesized and initially tested. Of those, 30 (32%) have &gt;, or =50% inhibitory activity (at 20 microM) in the coupled rhamnose, synthetic assay with seven of the 30 also having modest activity against, whole-cell M. tuberculosis.
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<StructureSection load='1pm7' size='340' side='right'caption='[[1pm7]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1pm7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PM7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1PM7 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1pm7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pm7 OCA], [https://pdbe.org/1pm7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1pm7 RCSB], [https://www.ebi.ac.uk/pdbsum/1pm7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1pm7 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/RMLC_MYCTU RMLC_MYCTU] Catalyzes the epimerization of the C3' and C5'positions of dTDP-6-deoxy-D-xylo-4-hexulose, forming dTDP-6-deoxy-L-lyxo-4-hexulose. Involved in the biosynthesis of the dTDP-L-rhamnose which is a component of the critical linker, D-N-acetylglucosamine-L-rhamnose disaccharide, which connects the galactan region of arabinogalactan to peptidoglycan via a phosphodiester linkage.<ref>PMID:16472764</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/pm/1pm7_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1pm7 ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1PM7 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 ACT and GOL as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/dTDP-4-dehydrorhamnose_3,5-epimerase dTDP-4-dehydrorhamnose 3,5-epimerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.1.3.13 5.1.3.13] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1PM7 OCA].
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*[[RmlC|RmlC]]
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== References ==
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==Reference==
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<references/>
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Novel inhibitors of an emerging target in Mycobacterium tuberculosis; substituted thiazolidinones as inhibitors of dTDP-rhamnose synthesis., Babaoglu K, Page MA, Jones VC, McNeil MR, Dong C, Naismith JH, Lee RE, Bioorg Med Chem Lett. 2003 Oct 6;13(19):3227-30. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12951098 12951098]
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: Single protein]]
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[[Category: Dong C]]
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[[Category: dTDP-4-dehydrorhamnose 3,5-epimerase]]
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[[Category: Naismith JH]]
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[[Category: Dong, C.]]
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[[Category: Naismith, J.H.]]
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[[Category: TBSGC, TB.Structural.Genomics.Consortium.]]
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[[Category: ACT]]
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[[Category: GOL]]
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[[Category: beta barrel]]
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[[Category: main beta sheet structure]]
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[[Category: protein structure initiative]]
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[[Category: psi]]
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[[Category: rmlc]]
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[[Category: structural genomics]]
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[[Category: tb structural genomics consortium]]
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[[Category: tbsgc]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 02:41:31 2007''
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Current revision

RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.

PDB ID 1pm7

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