1nqu

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(New page: 200px<br /><applet load="1nqu" size="450" color="white" frame="true" align="right" spinBox="true" caption="1nqu, resolution 1.75&Aring;" /> '''Crystal Structure of...)
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[[Image:1nqu.gif|left|200px]]<br /><applet load="1nqu" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1nqu, resolution 1.75&Aring;" />
 
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'''Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 6,7-dioxo-5H-8-ribitylaminolumazine'''<br />
 
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==Overview==
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==Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 6,7-dioxo-5H-8-ribitylaminolumazine==
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6,7-Dimethyl-8-ribityllumazine is the biosynthetic precursor of, riboflavin, which, as a coenzyme, plays a vital role in the electron, transfer process for energy production in all cellular organisms. The, enzymes involved in lumazine biosynthesis have been studied in, considerable detail. However, the conclusive mechanism of the reaction, catalyzed by lumazine synthase has remained unclear. Here, we report four, crystal structures of the enzyme from the hyperthermophilic bacterium, Aquifex aeolicus in complex with different inhibitor compounds. The, structures were refined at resolutions of 1.72 A, 1.85 A, 2.05 A and 2.2, A, respectively. The inhibitors have been designed in order to mimic the, substrate, the putative reaction intermediates and the final product., Structural comparisons of the native enzyme and the inhibitor complexes as, well as the kinetic data of single-site mutants of lumazine synthase from, Bacillus subtilis showed that several highly conserved residues at the, active site, namely Phe22, His88, Arg127, Lys135 and Glu138 are most, likely involved in catalysis. A structural model of the catalytic process, which illustrates binding of substrates, enantiomer specificity, proton, abstraction/donation, inorganic phosphate elimination, formation of the, Schiff base and cyclization is proposed.
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<StructureSection load='1nqu' size='340' side='right'caption='[[1nqu]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1nqu]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Aquifex_aeolicus Aquifex aeolicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1NQU FirstGlance]. <br>
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1NQU is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Aquifex_aeolicus Aquifex aeolicus] with PO4 and RDL as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Riboflavin_synthase Riboflavin synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.9 2.5.1.9] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1NQU OCA].
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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]] 1.75&#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=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=RDL:6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE'>RDL</scene></td></tr>
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==Reference==
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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=1nqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nqu OCA], [https://pdbe.org/1nqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1nqu RCSB], [https://www.ebi.ac.uk/pdbsum/1nqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1nqu ProSAT]</span></td></tr>
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A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus., Zhang X, Meining W, Cushman M, Haase I, Fischer M, Bacher A, Ladenstein R, J Mol Biol. 2003 Apr 18;328(1):167-82. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12684006 12684006]
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/RISB_AQUAE RISB_AQUAE] Catalyzes the formation of 6,7-dimethyl-8-ribityllumazine by condensation of 5-amino-6-(D-ribitylamino)uracil with 3,4-dihydroxy-2-butanone 4-phosphate. This is the penultimate step in the biosynthesis of riboflavin.<ref>PMID:12603336</ref> <ref>PMID:11237620</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/nq/1nqu_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=1nqu ConSurf].
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<div style="clear:both"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Aquifex aeolicus]]
[[Category: Aquifex aeolicus]]
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[[Category: Riboflavin synthase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Bacher A]]
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[[Category: Bacher, A.]]
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[[Category: Cushman M]]
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[[Category: Cushman, M.]]
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[[Category: Fischer M]]
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[[Category: Fischer, M.]]
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[[Category: Haase I]]
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[[Category: Haase, I.]]
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[[Category: Ladenstein R]]
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[[Category: Ladenstein, R.]]
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[[Category: Meining W]]
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[[Category: Meining, W.]]
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[[Category: Zhang X]]
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[[Category: Zhang, X.]]
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[[Category: PO4]]
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[[Category: RDL]]
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[[Category: aquifex aeolicus]]
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[[Category: catalytic mechanism]]
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[[Category: inhibitor complex]]
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[[Category: lumazine synthase]]
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[[Category: vitamin biosynthesis]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 22:29:36 2007''
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Current revision

Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 6,7-dioxo-5H-8-ribitylaminolumazine

PDB ID 1nqu

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