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2uz1

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[[Image:2uz1.gif|left|200px]]<br /><applet load="2uz1" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2uz1, resolution 1.65&Aring;" />
 
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'''1.65 ANGSTROM STRUCTURE OF BENZALDEHYDE LYASE COMPLEXED WITH 2-METHYL-2,4-PENTANEDIOL'''<br />
 
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==Overview==
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==1.65 Angstrom structure of Benzaldehyde Lyase complexed with 2-methyl- 2,4-pentanediol==
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Benzaldehyde lyase (BAL; EC 4.1.2.38) is a thiamine diphosphate (ThDP), dependent enzyme that catalyses the enantioselective carboligation of two, molecules of benzaldehyde to form (R)-benzoin. BAL has hence aroused, interest for its potential in the industrial synthesis of optically active, benzoins and derivatives. The structure of BAL was previously solved to a, resolution of 2.6 A using MAD experiments on a selenomethionine derivative, [Mosbacher et al. (2005), FEBS J. 272, 6067-6076]. In this communication, of parallel studies, BAL was crystallized in an alternative space group, (P2(1)2(1)2(1)) and its structure refined to a resolution of 1.65 A, allowing detailed observation of the water structure, active-site, interactions with ThDP and also the electron density for the co-solvent, 2-methyl-2,4-pentanediol (MPD) at hydrophobic patches of the enzyme, surface.
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<StructureSection load='2uz1' size='340' side='right'caption='[[2uz1]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2uz1]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_fluorescens Pseudomonas fluorescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2UZ1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2UZ1 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=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=TPP:THIAMINE+DIPHOSPHATE'>TPP</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=2uz1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2uz1 OCA], [https://pdbe.org/2uz1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2uz1 RCSB], [https://www.ebi.ac.uk/pdbsum/2uz1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2uz1 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q9F4L3_PSEFL Q9F4L3_PSEFL]
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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/uz/2uz1_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=2uz1 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Benzaldehyde lyase (BAL; EC 4.1.2.38) is a thiamine diphosphate (ThDP) dependent enzyme that catalyses the enantioselective carboligation of two molecules of benzaldehyde to form (R)-benzoin. BAL has hence aroused interest for its potential in the industrial synthesis of optically active benzoins and derivatives. The structure of BAL was previously solved to a resolution of 2.6 A using MAD experiments on a selenomethionine derivative [Mosbacher et al. (2005), FEBS J. 272, 6067-6076]. In this communication of parallel studies, BAL was crystallized in an alternative space group (P2(1)2(1)2(1)) and its structure refined to a resolution of 1.65 A, allowing detailed observation of the water structure, active-site interactions with ThDP and also the electron density for the co-solvent 2-methyl-2,4-pentanediol (MPD) at hydrophobic patches of the enzyme surface.
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==About this Structure==
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Structure of the ThDP-dependent enzyme benzaldehyde lyase refined to 1.65 A resolution.,Maraite A, Schmidt T, Ansorge-Schumacher MB, Brzozowski AM, Grogan G Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jul 1;63(Pt, 7):546-8. Epub 2007 Jun 15. PMID:17620706<ref>PMID:17620706</ref>
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2UZ1 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_fluorescens Pseudomonas fluorescens] with <scene name='pdbligand=TPP:'>TPP</scene> and <scene name='pdbligand=MPD:'>MPD</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Benzoin_aldolase Benzoin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.38 4.1.2.38] Known structural/functional Site: <scene name='pdbsite=AC1:Mpd Binding Site For Chain B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2UZ1 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Structure of the ThDP-dependent enzyme benzaldehyde lyase refined to 1.65 A resolution., Maraite A, Schmidt T, Ansorge-Schumacher MB, Brzozowski AM, Grogan G, Acta Crystallograph Sect F Struct Biol Cryst Commun. 2007 Jul 1;63(Pt, 7):546-8. Epub 2007 Jun 15. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17620706 17620706]
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</div>
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[[Category: Benzoin aldolase]]
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<div class="pdbe-citations 2uz1" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Pseudomonas fluorescens]]
[[Category: Pseudomonas fluorescens]]
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[[Category: Single protein]]
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[[Category: Ansorge-Schumacher MB]]
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[[Category: Ansorge-Schumacher, M.B.]]
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[[Category: Brzozowski AM]]
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[[Category: Brzozowski, A.M.]]
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[[Category: Grogan G]]
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[[Category: Grogan, G.]]
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[[Category: Maraite A]]
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[[Category: Maraite, A.]]
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[[Category: Schmidt T]]
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[[Category: Schmidt, T.]]
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[[Category: MPD]]
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[[Category: TPP]]
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[[Category: benzaldehyde]]
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[[Category: benzoin]]
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[[Category: flavoprotein]]
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[[Category: lyase]]
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[[Category: thiamine diphosphate]]
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[[Category: thiamine pyrophosphate]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 14:27:46 2008''
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Current revision

1.65 Angstrom structure of Benzaldehyde Lyase complexed with 2-methyl- 2,4-pentanediol

PDB ID 2uz1

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