1g1a

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(New page: 200px<br /><applet load="1g1a" size="450" color="white" frame="true" align="right" spinBox="true" caption="1g1a, resolution 2.47&Aring;" /> '''THE CRYSTAL STRUCTUR...)
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[[Image:1g1a.gif|left|200px]]<br /><applet load="1g1a" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1g1a, resolution 2.47&Aring;" />
 
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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==
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==THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM==
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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.
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<StructureSection load='1g1a' size='340' side='right'caption='[[1g1a]], [[Resolution|resolution]] 2.47&Aring;' scene=''>
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== Structural highlights ==
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<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>
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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]] 2.47&#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=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=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>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q9EU31_SALER Q9EU31_SALER]
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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/g1/1g1a_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=1g1a 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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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 SO4 and NAD 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://ispc.weizmann.ac.il/oca-bin/ocashort?id=1G1A OCA].
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*[[DTDP-glucose 4%2C6-dehydratase|DTDP-glucose 4%2C6-dehydratase]]
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__TOC__
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==Reference==
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</StructureSection>
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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]
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[[Category: Large Structures]]
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[[Category: Salmonella enterica]]
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[[Category: Salmonella enterica subsp. enterica serovar Typhimurium]]
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[[Category: Single protein]]
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[[Category: Allard STM]]
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[[Category: dTDP-glucose 4,6-dehydratase]]
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[[Category: Giraud M-F]]
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[[Category: Allard, S.T.M.]]
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[[Category: Graninger M]]
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[[Category: Giraud, M.F.]]
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[[Category: Messner P]]
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[[Category: Graninger, M.]]
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[[Category: Naismith JH]]
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[[Category: Messner, P.]]
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[[Category: Whitfield C]]
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[[Category: Naismith, J.H.]]
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[[Category: Whitfield, C.]]
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[[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://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 15:37:02 2007''
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Current revision

THE CRYSTAL STRUCTURE OF DTDP-D-GLUCOSE 4,6-DEHYDRATASE (RMLB)FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM

PDB ID 1g1a

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