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New page: left|200px<br /><applet load="4gst" size="450" color="white" frame="true" align="right" spinBox="true" caption="4gst, resolution 1.9Å" /> '''REACTION COORDINATE M...
 
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[[Image:4gst.jpg|left|200px]]<br /><applet load="4gst" size="450" color="white" frame="true" align="right" spinBox="true"
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'''REACTION COORDINATE MOTION IN AN SNAR REACTION CATALYZED BY GLUTATHIONE TRANSFERASE'''<br />


==Overview==
==REACTION COORDINATE MOTION IN AN SNAR REACTION CATALYZED BY GLUTATHIONE TRANSFERASE==
The three-dimensional structures of a class mu glutathione transferase in, complex with a transition-state analogue, 1-(S-glutathionyl)-2,4,6-trinitrocyclohexadienate, and a product, 1-(S-glutathionyl)-2,4-dinitrobenzene, of a nucleophilic aromatic, substitution (SNAr) reaction have been determined at 1.9- and 2.0-A, resolution, respectively. The two structures represent snapshots along the, reaction coordinate for the enzyme-catalyzed reaction of glutathione with, 1-chloro-2,4-dinitrobenzene and reveal specific interactions between the, enzyme, intermediate, and product that are important in catalysis. The, geometries of the intermediate and product are used to postulate reaction, coordinate motion during catalysis.
<StructureSection load='4gst' size='340' side='right'caption='[[4gst]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4gst]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_rattus Rattus rattus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GST OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GST FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GTD:1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE'>GTD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=4gst FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gst OCA], [https://pdbe.org/4gst PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gst RCSB], [https://www.ebi.ac.uk/pdbsum/4gst PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gst ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/GSTM1_RAT GSTM1_RAT] Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. The olfactory GST may be crucial for the acuity of the olfactory process.
== 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/gs/4gst_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=4gst ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The three-dimensional structures of a class mu glutathione transferase in complex with a transition-state analogue, 1-(S-glutathionyl)-2,4,6-trinitrocyclohexadienate, and a product, 1-(S-glutathionyl)-2,4-dinitrobenzene, of a nucleophilic aromatic substitution (SNAr) reaction have been determined at 1.9- and 2.0-A resolution, respectively. The two structures represent snapshots along the reaction coordinate for the enzyme-catalyzed reaction of glutathione with 1-chloro-2,4-dinitrobenzene and reveal specific interactions between the enzyme, intermediate, and product that are important in catalysis. The geometries of the intermediate and product are used to postulate reaction coordinate motion during catalysis.


==About this Structure==
Snapshots along the reaction coordinate of an SNAr reaction catalyzed by glutathione transferase.,Ji X, Armstrong RN, Gilliland GL Biochemistry. 1993 Dec 7;32(48):12949-54. PMID:8241147<ref>PMID:8241147</ref>
4GST is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Rattus_rattus Rattus rattus] with SO4 and GTD as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Glutathione_transferase Glutathione transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.18 2.5.1.18] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=4GST OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Snapshots along the reaction coordinate of an SNAr reaction catalyzed by glutathione transferase., Ji X, Armstrong RN, Gilliland GL, Biochemistry. 1993 Dec 7;32(48):12949-54. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8241147 8241147]
</div>
[[Category: Glutathione transferase]]
<div class="pdbe-citations 4gst" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Glutathione S-transferase 3D structures|Glutathione S-transferase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Rattus rattus]]
[[Category: Rattus rattus]]
[[Category: Single protein]]
[[Category: Armstrong RN]]
[[Category: Armstrong, R.N.]]
[[Category: Gilliland GL]]
[[Category: Gilliland, G.L.]]
[[Category: Ji X]]
[[Category: Ji, X.]]
[[Category: GTD]]
[[Category: SO4]]
[[Category: glutathione transferase]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 19:38:30 2007''

Latest revision as of 13:10, 30 August 2023

REACTION COORDINATE MOTION IN AN SNAR REACTION CATALYZED BY GLUTATHIONE TRANSFERASE

4gst, resolution 1.90Å

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