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New page: left|200px<br /><applet load="1zoi" size="350" color="white" frame="true" align="right" spinBox="true" caption="1zoi, resolution 1.6Å" /> '''Crystal Structure of ...
 
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[[Image:1zoi.gif|left|200px]]<br /><applet load="1zoi" size="350" color="white" frame="true" align="right" spinBox="true"
caption="1zoi, resolution 1.6&Aring;" />
'''Crystal Structure of a Stereoselective Esterase from Pseudomonas putida IFO12996'''<br />


==Overview==
==Crystal Structure of a Stereoselective Esterase from Pseudomonas putida IFO12996==
Esterase (EST) from Pseudomonas putida IFO12996 catalyzes the, stereoselective hydrolysis of methyl dl-beta-acetylthioisobutyrate, (dl-MATI) to produce d-beta-acetylthioisobutyric acid (DAT), serving as a, key intermediate for the synthesis of angiotensin-converting enzyme, inhibitors. The EST gene was cloned and expressed in Escherichia coli; the, recombinant protein is a non-disulfide-linked homotrimer with a monomer, molecular weight of 33,000 in both solution and crystalline states, indicating that these ESTs function as trimers. EST hydrolyzed dl-MATI to, produce DAT with a degree of conversion of 49.5% and an enantiomeric, excess value of 97.2% at an optimum pH of about 8 to 10 and an optimum, temperature of about 57 to 67 degrees C. The crystal structure of EST has, been determined by X-ray diffraction to a resolution of 1.6 A, confirming, that EST is a member of the alpha/beta hydrolase fold superfamily of, enzymes and includes a catalytic triad of Ser97, Asp227, and His256. The, active site is located approximately in the middle of the molecule at the, end of a pocket approximately 12 A deep. EST can hydrolyze the methyl, ester group without affecting the acetylthiol ester moiety in dl-MATI. The, examination of substrate specificity of EST toward other linear esters, revealed that the enzyme showed specific activity toward methyl esters and, that it recognized the configuration at C-2.
<StructureSection load='1zoi' size='340' side='right'caption='[[1zoi]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[1zoi]] is a 3 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=1ZOI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZOI FirstGlance]. <br>
1ZOI is a [http://en.wikipedia.org/wiki/Single_protein 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=1ZOI OCA].  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</td></tr>
 
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1zoi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zoi OCA], [https://pdbe.org/1zoi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zoi RCSB], [https://www.ebi.ac.uk/pdbsum/1zoi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zoi ProSAT]</span></td></tr>
==Reference==
</table>
Stereoselective esterase from Pseudomonas putida IFO12996 reveals alpha/beta hydrolase folds for D-beta-acetylthioisobutyric acid synthesis., Elmi F, Lee HT, Huang JY, Hsieh YC, Wang YL, Chen YJ, Shaw SY, Chen CJ, J Bacteriol. 2005 Dec;187(24):8470-6. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16321951 16321951]
== Function ==
[https://www.uniprot.org/uniprot/Q3HWU8_PSEPU Q3HWU8_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/zo/1zoi_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=1zoi ConSurf].
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas putida]]
[[Category: Pseudomonas putida]]
[[Category: Single protein]]
[[Category: Chen CJ]]
[[Category: Chen, C.J.]]
[[Category: Chen YJ]]
[[Category: Chen, Y.J.]]
[[Category: Elmi F]]
[[Category: Elmi, F.]]
[[Category: Hsieh YC]]
[[Category: Hsieh, Y.C.]]
[[Category: Huang JY]]
[[Category: Huang, J.Y.]]
[[Category: Lee HT]]
[[Category: Lee, H.T.]]
[[Category: Shaw SY]]
[[Category: Shaw, S.Y.]]
[[Category: Wang YL]]
[[Category: Wang, Y.L.]]
[[Category: alpha/beta hydrolase fold]]
[[Category: esterase]]
[[Category: pseudomonas putida]]
 
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