1zoi

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[[Image:1zoi.gif|left|200px]]<br /><applet load="1zoi" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1zoi, resolution 1.6&Aring;" />
 
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'''Crystal Structure of a Stereoselective Esterase from Pseudomonas putida IFO12996'''<br />
 
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==Overview==
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==Crystal Structure of a Stereoselective Esterase from Pseudomonas putida IFO12996==
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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.
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<StructureSection load='1zoi' size='340' side='right'caption='[[1zoi]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<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>
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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].
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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]] 1.6&#8491;</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=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>
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==Reference==
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</table>
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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]
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== Function ==
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[https://www.uniprot.org/uniprot/Q3HWU8_PSEPU Q3HWU8_PSEPU]
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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/zo/1zoi_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=1zoi ConSurf].
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<div style="clear:both"></div>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Pseudomonas putida]]
[[Category: Pseudomonas putida]]
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[[Category: Single protein]]
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[[Category: Chen CJ]]
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[[Category: Chen, C J.]]
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[[Category: Chen YJ]]
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[[Category: Chen, Y J.]]
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[[Category: Elmi F]]
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[[Category: Elmi, F.]]
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[[Category: Hsieh YC]]
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[[Category: Hsieh, Y C.]]
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[[Category: Huang JY]]
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[[Category: Huang, J Y.]]
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[[Category: Lee HT]]
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[[Category: Lee, H T.]]
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[[Category: Shaw SY]]
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[[Category: Shaw, S Y.]]
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[[Category: Wang YL]]
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[[Category: Wang, Y L.]]
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[[Category: alpha/beta hydrolase fold]]
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[[Category: esterase]]
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[[Category: pseudomonas putida]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:17:36 2008''
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Current revision

Crystal Structure of a Stereoselective Esterase from Pseudomonas putida IFO12996

PDB ID 1zoi

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