2v3w: Difference between revisions

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[[Image:2v3w.jpg|left|200px]]


<!--
==Crystal structure of the benzoylformate decarboxylase variant L461A from Pseudomonas putida==
The line below this paragraph, containing "STRUCTURE_2v3w", creates the "Structure Box" on the page.
<StructureSection load='2v3w' size='340' side='right'caption='[[2v3w]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)  
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[2v3w]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V3W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2V3W FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
-->
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TPP:THIAMINE+DIPHOSPHATE'>TPP</scene></td></tr>
{{STRUCTURE_2v3w|  PDB=2v3w  |  SCENE=  }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2v3w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2v3w OCA], [https://pdbe.org/2v3w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2v3w RCSB], [https://www.ebi.ac.uk/pdbsum/2v3w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2v3w ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/MDLC_PSEPU MDLC_PSEPU]
== 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/v3/2v3w_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=2v3w ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Benzoylformate decarboxylase (BFD) from Pseudomonas putida is an exceptional thiamin diphosphate-dependent enzyme, as it catalyzes the formation of (S)-2-hydroxy-1-phenylpropan-1-one from benzaldehyde and acetaldehyde. This is the only currently known S-selective reaction (92 % ee) catalyzed by this otherwise R-selective class of enzymes. Here we describe the molecular basis of the introduction of S selectivity into ThDP-dependent decarboxylases. By shaping the active site of BFD through the use of rational protein design, structural analysis, and molecular modeling, optimal steric stabilization of the acceptor aldehyde in a structural element called the S pocket was identified as the predominant interaction for adjusting stereoselectivity. Our studies revealed Leu461 as a hot spot for stereoselectivity in BFD. Exchange to alanine and glycine resulted in variants that catalyze the S-stereoselective addition of larger acceptor aldehydes, such as propanal with benzaldehyde and its derivatives-a reaction not catalyzed by the wild-type enzyme. Crystal structure analysis of the variant BFDL461A supports the modeling studies.


'''CRYSTAL STRUCTURE OF THE BENZOYLFORMATE DECARBOXYLASE VARIANT L461A FROM PSEUDOMONAS PUTIDA'''
Rational protein design of ThDP-dependent enzymes-engineering stereoselectivity.,Gocke D, Walter L, Gauchenova E, Kolter G, Knoll M, Berthold CL, Schneider G, Pleiss J, Muller M, Pohl M Chembiochem. 2008 Feb 15;9(3):406-12. PMID:18224647<ref>PMID:18224647</ref>


 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
==About this Structure==
</div>
2V3W is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2V3W OCA].
<div class="pdbe-citations 2v3w" style="background-color:#fffaf0;"></div>
[[Category: Benzoylformate decarboxylase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas putida]]
[[Category: Pseudomonas putida]]
[[Category: Single protein]]
[[Category: Berthold CL]]
[[Category: Berthold, C L.]]
[[Category: Gauchenova K]]
[[Category: Gauchenova, K.]]
[[Category: Gocke D]]
[[Category: Gocke, D.]]
[[Category: Knoll M]]
[[Category: Knoll, M.]]
[[Category: Kolter G]]
[[Category: Kolter, G.]]
[[Category: Mueller M]]
[[Category: Mueller, M.]]
[[Category: Pleiss J]]
[[Category: Pleiss, J.]]
[[Category: Pohl M]]
[[Category: Pohl, M.]]
[[Category: Schneider G]]
[[Category: Schneider, G.]]
[[Category: Walter L]]
[[Category: Walter, L.]]
[[Category: Aromatic hydrocarbons catabolism]]
[[Category: Calcium]]
[[Category: Carboligation]]
[[Category: Decarboxylase]]
[[Category: Flavoprotein]]
[[Category: Lyase]]
[[Category: Magnesium]]
[[Category: Mandelate pathway]]
[[Category: Metal-binding]]
[[Category: Rational protein design]]
[[Category: Thdp-dependent]]
[[Category: Thiamine pyrophosphate]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 18:10:21 2008''
Retrieved from "https://proteopedia.org/2v3w"