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[[Image:2ji3.gif|left|200px]]<br />
<applet load="2ji3" size="450" color="white" frame="true" align="right" spinBox="true"
caption="2ji3, resolution 1.95&Aring;" />
'''X-RAY STRUCTURE OF THE IRON-PEROXIDE INTERMEDIATE OF SUPEROXIDE REDUCTASE (E114A MUTANT) FROM DESULFOARCULUS BAARSII'''<br />


==About this Structure==
==X-ray structure of the iron-peroxide intermediate of superoxide reductase (E114A mutant) from Desulfoarculus baarsii==
2JI3 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Desulfovibrio_baarsii Desulfovibrio baarsii]] with FE, CA, NO3 and PER as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Superoxide_reductase Superoxide reductase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.15.1.2 1.15.1.2]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2JI3 OCA]].  
<StructureSection load='2ji3' size='340' side='right'caption='[[2ji3]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
[[Category: Desulfovibrio baarsii]]
== Structural highlights ==
[[Category: Single protein]]
<table><tr><td colspan='2'>[[2ji3]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Desulfarculus_baarsii Desulfarculus baarsii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JI3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2JI3 FirstGlance]. <br>
[[Category: Superoxide reductase]]
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.95&#8491;</td></tr>
[[Category: Adam, V.]]
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=PER:PEROXIDE+ION'>PER</scene></td></tr>
[[Category: Amara, P.]]
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ji3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ji3 OCA], [https://pdbe.org/2ji3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ji3 RCSB], [https://www.ebi.ac.uk/pdbsum/2ji3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ji3 ProSAT]</span></td></tr>
[[Category: Bourgeois, D.]]
</table>
[[Category: Carpentier, P.]]
== Function ==
[[Category: Katona, G.]]
[https://www.uniprot.org/uniprot/DFX_DESB2 DFX_DESB2] Catalyzes the one-electron reduction of superoxide anion radical to hydrogen peroxide at a nonheme ferrous iron center. Plays a fundamental role in case of oxidative stress via its superoxide detoxification activity.<ref>PMID:10617593</ref>
[[Category: Niviere, V.]]
== Evolutionary Conservation ==
[[Category: Ohana, J.]]
[[Image:Consurf_key_small.gif|200px|right]]
[[Category: Tsanov, N.]]
Check<jmol>
[[Category: CA]]
  <jmolCheckbox>
[[Category: FE]]
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ji/2ji3_consurf.spt"</scriptWhenChecked>
[[Category: NO3]]
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
[[Category: PER]]
    <text>to colour the structure by Evolutionary Conservation</text>
[[Category: detoxification]]
  </jmolCheckbox>
[[Category: electron transport]]
</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=2ji3 ConSurf].
[[Category: intermediate trapping]]
<div style="clear:both"></div>
[[Category: iron]]
<div style="background-color:#fffaf0;">
[[Category: metal-binding]]
== Publication Abstract from PubMed ==
[[Category: microspectrophotometry]]
Iron-peroxide intermediates are central in the reaction cycle of many iron-containing biomolecules. We trapped iron(III)-(hydro)peroxo species in crystals of superoxide reductase (SOR), a nonheme mononuclear iron enzyme that scavenges superoxide radicals. X-ray diffraction data at 1.95 angstrom resolution and Raman spectra recorded in crystallo revealed iron-(hydro)peroxo intermediates with the (hydro)peroxo group bound end-on. The dynamic SOR active site promotes the formation of transient hydrogen bond networks, which presumably assist the cleavage of the iron-oxygen bond in order to release the reaction product, hydrogen peroxide.
[[Category: oxidoreductase]]
[[Category: raman spectroscopy]]
[[Category: redox states]]
[[Category: superoxide reductase]]
[[Category: transport]]


''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 17:34:47 2007''
Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme.,Katona G, Carpentier P, Niviere V, Amara P, Adam V, Ohana J, Tsanov N, Bourgeois D Science. 2007 Apr 20;316(5823):449-53. PMID:17446401<ref>PMID:17446401</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2ji3" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Superoxide Reductase|Superoxide Reductase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Desulfarculus baarsii]]
[[Category: Large Structures]]
[[Category: Adam V]]
[[Category: Amara P]]
[[Category: Bourgeois D]]
[[Category: Carpentier P]]
[[Category: Katona G]]
[[Category: Niviere V]]
[[Category: Ohana J]]
[[Category: Tsanov N]]

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