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2ign

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(New page: 200px<br /><applet load="2ign" size="350" color="white" frame="true" align="right" spinBox="true" caption="2ign, resolution 1.65&Aring;" /> '''Crystal structure of...)
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[[Image:2ign.gif|left|200px]]<br /><applet load="2ign" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2ign, resolution 1.65&Aring;" />
 
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'''Crystal structure of recombinant pyranose 2-oxidase H167A mutant'''<br />
 
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==Overview==
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==Crystal structure of recombinant pyranose 2-oxidase H167A mutant==
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Pyranose 2-oxidase (P2Ox) participates in fungal lignin degradation by, producing the H2O2 needed for lignin-degrading peroxidases. The enzyme, oxidizes cellulose- and hemicellulose-derived aldopyranoses at C2, preferentially, but also on C3, to the corresponding ketoaldoses. To, investigate the structural determinants of catalysis, covalent, flavinylation, substrate binding, and regioselectivity, wild-type and, mutant P2Ox enzymes were produced and characterized biochemically and, structurally. Removal of the histidyl-FAD linkage resulted in a, catalytically competent enzyme containing tightly, but noncovalently bound, FAD. This mutant (H167A) is characterized by a 5-fold lower kcat, and a, 35-mV lower redox potential, although no significant structural changes, were seen in its crystal structure. In previous structures of P2Ox, the, substrate loop (residues 452-457) covering the active site has been either, disordered or in a conformation incompatible with carbohydrate binding. We, present here the crystal structure of H167A in complex with a slow, substrate, 2-fluoro-2-deoxy-D-glucose. Based on the details of, 2-fluoro-2-deoxy-D-glucose binding in position for oxidation at C3, we, also outline a probable binding mode for D-glucose positioned for, regioselective oxidation at C2. The tentative determinant for, discriminating between the two binding modes is the position of the O6, hydroxyl group, which in the C2-oxidation mode can make favorable, interactions with Asp452 in the substrate loop and, possibly, a nearby, arginine residue (Arg472). We also substantiate our hypothesis with, steady-state kinetics data for the alanine replacements of Asp452 and, Arg472 as well as the double alanine 452/472 mutant.
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<StructureSection load='2ign' size='340' side='right'caption='[[2ign]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2ign]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Trametes_ochracea Trametes ochracea]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IGN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IGN 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]] 1.65&#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=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</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=2ign FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ign OCA], [https://pdbe.org/2ign PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ign RCSB], [https://www.ebi.ac.uk/pdbsum/2ign PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ign ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q7ZA32_TRAOC Q7ZA32_TRAOC]
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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/ig/2ign_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=2ign 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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2IGN is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Trametes_ochracea Trametes ochracea] with <scene name='pdbligand=FAD:'>FAD</scene> and <scene name='pdbligand=MES:'>MES</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Pyranose_oxidase Pyranose oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.3.10 1.1.3.10] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IGN OCA].
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*[[Pyranose oxidase|Pyranose oxidase]]
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__TOC__
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==Reference==
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</StructureSection>
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Structural basis for substrate binding and regioselective oxidation of monosaccharides at C3 by pyranose 2-oxidase., Kujawa M, Ebner H, Leitner C, Hallberg BM, Prongjit M, Sucharitakul J, Ludwig R, Rudsander U, Peterbauer C, Chaiyen P, Haltrich D, Divne C, J Biol Chem. 2006 Nov 17;281(46):35104-15. Epub 2006 Sep 19. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16984920 16984920]
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[[Category: Large Structures]]
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[[Category: Pyranose oxidase]]
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[[Category: Single protein]]
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[[Category: Trametes ochracea]]
[[Category: Trametes ochracea]]
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[[Category: Divne, C.]]
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[[Category: Divne C]]
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[[Category: FAD]]
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[[Category: MES]]
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[[Category: 8-alpha-(n3) histidyl flavinylation]]
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[[Category: gmc oxidoreductase]]
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[[Category: h167a mutant]]
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[[Category: homotetramer]]
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[[Category: oxidoreductase]]
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[[Category: phbh fold]]
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[[Category: rossman fold]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jan 29 20:40:33 2008''
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Current revision

Crystal structure of recombinant pyranose 2-oxidase H167A mutant

PDB ID 2ign

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