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New page: left|200px<br /> <applet load="1m9b" size="450" color="white" frame="true" align="right" spinBox="true" caption="1m9b, resolution 2.6Å" /> '''Crystal structure of...
 
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[[Image:1m9b.gif|left|200px]]<br />
<applet load="1m9b" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1m9b, resolution 2.6&Aring;" />
'''Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with gamma-glutamyl[S-(2-iodobenzyl)cysteinyl]glycine'''<br />


==Overview==
==Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with gamma-glutamyl[S-(2-iodobenzyl)cysteinyl]glycine==
The 26-kDa glutathione S-transferase from Schistosoma japonicum (Sj26GST), a helminth worm that causes schistosomiasis, catalyzes the conjugation of, glutathione with toxic secondary products of membrane lipid peroxidation., Crystal structures of Sj26GST in complex with glutathione sulfonate, (Sj26GSTSLF), S-hexyl glutathione (Sj26GSTHEX), and S-2-iodobenzyl, glutathione (Sj26GSTIBZ) allow characterization of the electrophile, binding site (H site) of Sj26GST. The S-hexyl and S-2-iodobenzyl moieties, of these product analogs bind in a pocket defined by side-chains from the, beta1-alpha1 loop (Tyr7, Trp8, Ile10, Gly12, Leu13), helix alpha4 (Arg103, Tyr104, Ser107, Tyr111), and the C-terminal coil (Gln204, Gly205, Trp206, Gln207). Changes in the Ser107 and Gln204 dihedral angles make the H site, more hydrophobic in the Sj26GSTHEX complex relative to the ligand-free, structure. These structures, together with docking studies, indicate a, possible binding mode of Sj26GST to its physiologic substrates, 4-hydroxynon-2-enal (4HNE), trans-non-2-enal (NE), and ethacrynic acid, (EA). In this binding mode, hydrogen bonds of Tyr111 and Gln207 to the, carbonyl oxygen atoms of 4HNE, NE, and EA could orient the substrates and, enhance their electrophilicity to promote conjugation with glutathione.
<StructureSection load='1m9b' size='340' side='right'caption='[[1m9b]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1m9b]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Schistosoma_japonicum Schistosoma japonicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1M9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1M9B 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]] 2.6&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IBG:GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE'>IBG</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=1m9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1m9b OCA], [https://pdbe.org/1m9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1m9b RCSB], [https://www.ebi.ac.uk/pdbsum/1m9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1m9b ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/GST26_SCHJA GST26_SCHJA] Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.  GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.
== 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/m9/1m9b_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=1m9b ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1M9B is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Schistosoma_japonicum Schistosoma japonicum] with IBG as [http://en.wikipedia.org/wiki/ligand ligand]. 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=1M9B OCA].
*[[Glutathione S-transferase 3D structures|Glutathione S-transferase 3D structures]]
 
__TOC__
==Reference==
</StructureSection>
Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum., Cardoso RM, Daniels DS, Bruns CM, Tainer JA, Proteins. 2003 Apr 1;51(1):137-46. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12596270 12596270]
[[Category: Large Structures]]
[[Category: Glutathione transferase]]
[[Category: Schistosoma japonicum]]
[[Category: Schistosoma japonicum]]
[[Category: Single protein]]
[[Category: Bruns CM]]
[[Category: Bruns, C.M.]]
[[Category: Cardoso RMF]]
[[Category: Cardoso, R.M.F.]]
[[Category: Daniels DS]]
[[Category: Daniels, D.S.]]
[[Category: Tainer JA]]
[[Category: Tainer, J.A.]]
[[Category: IBG]]
[[Category: antigen]]
[[Category: glutathione transferase]]
[[Category: multigene family]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Thu Nov  8 14:19:00 2007''

Latest revision as of 07:41, 14 February 2024

Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with gamma-glutamyl[S-(2-iodobenzyl)cysteinyl]glycine

1m9b, resolution 2.60Å

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