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1rxe

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(New page: 200px<br /><applet load="1rxe" size="450" color="white" frame="true" align="right" spinBox="true" caption="1rxe, resolution 1.7&Aring;" /> '''ArsC complexed with M...)
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[[Image:1rxe.gif|left|200px]]<br /><applet load="1rxe" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1rxe, resolution 1.7&Aring;" />
 
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'''ArsC complexed with MNB'''<br />
 
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==Overview==
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==ArsC complexed with MNB==
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Structural insights into formation of the complex between the ubiquitous, thiol-disulfide oxidoreductase thioredoxin and its oxidized substrate are, under-documented owing to its entropical instability. In vitro, it is, possible via a reaction with 5,5'-dithiobis-(2-nitrobenzoic acid) to make, a stable mixed-disulfide complex between thioredoxin from Staphylococcus, aureus and one of its substrates, oxidized pI258 arsenate reductase (ArsC), from S. aureus. In the absence of the crystal structure of an, ArsC-thioredoxin complex, the structures of two precursors of the complex, the ArsC triple mutant ArsC C10SC15AC82S and its 5-thio-2-nitrobenzoic, acid (TNB) adduct, were determined. The ArsC triple mutant has a structure, very similar to that of the reduced form of wild-type ArsC, with a folded, redox helix and a buried catalytic Cys89. In the adduct form, the TNB, molecule is buried in a hydrophobic pocket and the disulfide bridge, between TNB and Cys89 is sterically inaccessible to thioredoxin. In order, to form a mixed disulfide between ArsC and thioredoxin, a change in the, orientation of the TNB-Cys89 disulfide in the structure is necessary.
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<StructureSection load='1rxe' size='340' side='right'caption='[[1rxe]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1rxe]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RXE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1RXE FirstGlance]. <br>
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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]] 1.7&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=LCP:PERCHLORATE+ION'>LCP</scene>, <scene name='pdbligand=MNB:5-MERCAPTO-2-NITRO-BENZOIC+ACID'>MNB</scene></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=1rxe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rxe OCA], [https://pdbe.org/1rxe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1rxe RCSB], [https://www.ebi.ac.uk/pdbsum/1rxe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1rxe ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ARSC_STAAU ARSC_STAAU] Reduces arsenate [As(V)] to arsenite [As(III)] and dephosphorylates tyrosine phosphorylated proteins, low-MW aryl phosphates and natural and synthetic acyl phosphates. Could switch between different functions in different circumstances.[HAMAP-Rule:MF_01624]
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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/rx/1rxe_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=1rxe ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1RXE is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus] with K, LCP and MNB as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Arsenate_reductase_(glutaredoxin) Arsenate reductase (glutaredoxin)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.20.4.1 1.20.4.1] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1RXE OCA].
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*[[Arsenate reductase 3D structures|Arsenate reductase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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The structure of a triple mutant of pI258 arsenate reductase from Staphylococcus aureus and its 5-thio-2-nitrobenzoic acid adduct., Messens J, Van Molle I, Vanhaesebrouck P, Van Belle K, Wahni K, Martins JC, Wyns L, Loris R, Acta Crystallogr D Biol Crystallogr. 2004 Jun;60(Pt 6):1180-4. Epub 2004, May 21. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15159594 15159594]
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[[Category: Large Structures]]
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[[Category: Arsenate reductase (glutaredoxin)]]
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[[Category: Single protein]]
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[[Category: Staphylococcus aureus]]
[[Category: Staphylococcus aureus]]
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[[Category: Belle, K.Van.]]
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[[Category: Limbourg M]]
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[[Category: Limbourg, M.]]
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[[Category: Loris R]]
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[[Category: Loris, R.]]
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[[Category: Martins JC]]
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[[Category: Martins, J.C.]]
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[[Category: Messens J]]
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[[Category: Messens, J.]]
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[[Category: Van Belle K]]
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[[Category: Molle, I.Van.]]
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[[Category: Van Molle I]]
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[[Category: Vanhaesebrouck, P.]]
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[[Category: Vanhaesebrouck P]]
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[[Category: Wahni, K.]]
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[[Category: Wahni K]]
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[[Category: Wyns, L.]]
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[[Category: Wyns L]]
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[[Category: K]]
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[[Category: LCP]]
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[[Category: MNB]]
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[[Category: 5-mercapto-2-nitrobenzoic acid]]
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[[Category: 5-thio-2-nitrobenzoic acid]]
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[[Category: arsc]]
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[[Category: mixed disulphide]]
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[[Category: mnb]]
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[[Category: tnb]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 01:55:41 2007''
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Current revision

ArsC complexed with MNB

PDB ID 1rxe

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