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| [[Image:1g1a.gif|left|200px]]<br /><applet load="1g1a" size="350" color="white" frame="true" align="right" spinBox="true"
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| caption="1g1a, resolution 2.47Å" />
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| '''THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM'''<br />
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| ==Overview== | | ==THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM== |
| l-Rhamnose is a 6-deoxyhexose that is found in a variety of different glycoconjugates in the cell walls of pathogenic bacteria. The precursor of l-rhamnose is dTDP-l-rhamnose, which is synthesised from glucose- 1-phosphate and deoxythymidine triphosphate (dTTP) via a pathway requiring four enzymes. Significantly this pathway does not exist in humans and all four enzymes therefore represent potential therapeutic targets. dTDP-D-glucose 4,6-dehydratase (RmlB; EC 4.2.1.46) is the second enzyme in the dTDP-L-rhamnose biosynthetic pathway. The structure of Salmonella enterica serovar Typhimurium RmlB had been determined to 2.47 A resolution with its cofactor NAD(+) bound. The structure has been refined to a crystallographic R-factor of 20.4 % and an R-free value of 24.9 % with good stereochemistry.RmlB functions as a homodimer with monomer association occurring principally through hydrophobic interactions via a four-helix bundle. Each monomer exhibits an alpha/beta structure that can be divided into two domains. The larger N-terminal domain binds the nucleotide cofactor NAD(+) and consists of a seven-stranded beta-sheet surrounded by alpha-helices. The smaller C-terminal domain is responsible for binding the sugar substrate dTDP-d-glucose and contains four beta-strands and six alpha-helices. The two domains meet to form a cavity in the enzyme. The highly conserved active site Tyr(167)XXXLys(171) catalytic couple and the GlyXGlyXXGly motif at the N terminus characterise RmlB as a member of the short-chain dehydrogenase/reductase extended family.The quaternary structure of RmlB and its similarity to a number of other closely related short-chain dehydrogenase/reductase enzymes have enabled us to propose a mechanism of catalysis for this important enzyme.
| | <StructureSection load='1g1a' size='340' side='right'caption='[[1g1a]], [[Resolution|resolution]] 2.47Å' scene=''> |
| | == Structural highlights == |
| | <table><tr><td colspan='2'>[[1g1a]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_Typhimurium Salmonella enterica subsp. enterica serovar Typhimurium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1G1A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1G1A 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]] 2.47Å</td></tr> |
| | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=1g1a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1g1a OCA], [https://pdbe.org/1g1a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1g1a RCSB], [https://www.ebi.ac.uk/pdbsum/1g1a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1g1a ProSAT]</span></td></tr> |
| | </table> |
| | == Function == |
| | [https://www.uniprot.org/uniprot/Q9EU31_SALER Q9EU31_SALER] |
| | == 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/g1/1g1a_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=1g1a ConSurf]. |
| | <div style="clear:both"></div> |
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| ==About this Structure== | | ==See Also== |
| 1G1A is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Salmonella_enterica Salmonella enterica] with <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=NAD:'>NAD</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/dTDP-glucose_4,6-dehydratase dTDP-glucose 4,6-dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.46 4.2.1.46] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1G1A OCA].
| | *[[DTDP-glucose 4%2C6-dehydratase|DTDP-glucose 4%2C6-dehydratase]] |
| | | __TOC__ |
| ==Reference==
| | </StructureSection> |
| The crystal structure of dTDP-D-Glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium, the second enzyme in the dTDP-l-rhamnose pathway., Allard ST, Giraud MF, Whitfield C, Graninger M, Messner P, Naismith JH, J Mol Biol. 2001 Mar 16;307(1):283-95. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11243820 11243820]
| | [[Category: Large Structures]] |
| [[Category: Salmonella enterica]] | | [[Category: Salmonella enterica subsp. enterica serovar Typhimurium]] |
| [[Category: Single protein]] | | [[Category: Allard STM]] |
| [[Category: dTDP-glucose 4,6-dehydratase]]
| | [[Category: Giraud M-F]] |
| [[Category: Allard, S T.M.]] | | [[Category: Graninger M]] |
| [[Category: Giraud, M F.]] | | [[Category: Messner P]] |
| [[Category: Graninger, M.]] | | [[Category: Naismith JH]] |
| [[Category: Messner, P.]] | | [[Category: Whitfield C]] |
| [[Category: Naismith, J H.]] | |
| [[Category: Whitfield, C.]] | |
| [[Category: NAD]]
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| [[Category: SO4]]
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| [[Category: protein-nad complex]]
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| [[Category: rossmann fold]]
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| [[Category: short chain dehydrogenase]]
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| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:44:57 2008''
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