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1j9b

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(New page: 200px<br /><applet load="1j9b" size="450" color="white" frame="true" align="right" spinBox="true" caption="1j9b, resolution 1.26&Aring;" /> '''ARSENATE REDUCTASE+0...)
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[[Image:1j9b.jpg|left|200px]]<br /><applet load="1j9b" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1j9b, resolution 1.26&Aring;" />
 
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'''ARSENATE REDUCTASE+0.4M ARSENITE FROM E. COLI'''<br />
 
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==Overview==
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==ARSENATE REDUCTASE+0.4M ARSENITE FROM E. COLI==
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BACKGROUND: In Escherichia coli bearing the plasmid R773, resistance to, arsenite, arsenate, antimonite, and tellurite is conferred by the arsRDABC, plasmid operon that codes for an ATP-dependent anion pump. The product of, the arsC gene, arsenate reductase (ArsC), is required to efficiently, catalyze the reduction of arsenate to arsenite prior to extrusion., RESULTS: Here, we report the first X-ray crystal structures of ArsC at, 1.65 A and of ArsC complexed with arsenate and arsenite at 1.26 A, resolution. The overall fold is unique. The native structure shows sulfate, and sulfite ions binding in the active site as analogs of arsenate and, arsenite. The covalent adduct of arsenate with Cys-12 in the active site, of ArsC, which was analyzed in a difference map, shows tetrahedral, geometry with a sulfur-arsenic distance of 2.18 A. However, the, corresponding adduct with arsenite binds as a hitherto unseen, thiarsahydroxy adduct. Finally, the number of bound waters (385) in this, highly ordered crystal structure approaches twice the number expected at, this resolution for a structure of 138 ordered residues. CONCLUSIONS:, Structural information from the adduct of ArsC with its substrate, (arsenate) and with its product (arsenite) together with functional, information from mutational and biochemical studies on ArsC suggest a, plausible mechanism for the reaction. The exceptionally well-defined water, structure indicates that this crystal system has precise long-range order, within the crystal and that the upper limit for the number of bound waters, in crystal structures is underestimated by the structures in the Protein, Data Bank.
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<StructureSection load='1j9b' size='340' side='right'caption='[[1j9b]], [[Resolution|resolution]] 1.26&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1j9b]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1J9B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1J9B 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]] 1.26&#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=CS:CESIUM+ION'>CS</scene>, <scene name='pdbligand=CZZ:THIARSAHYDROXY-CYSTEINE'>CZZ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TAS:TRIHYDROXYARSENITE(III)'>TAS</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=1j9b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1j9b OCA], [https://pdbe.org/1j9b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1j9b RCSB], [https://www.ebi.ac.uk/pdbsum/1j9b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1j9b ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ARSC1_ECOLX ARSC1_ECOLX] Reduction of arsenate [As(V)] to arsenite [As(III)]. This protein expands the substrate specificity of ArsAB pump which can extrude arsenite and antimonite to allow for arsenate pumping and resistance.
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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/j9/1j9b_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=1j9b 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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1J9B is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] with SO4, CS and TAS as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1J9B OCA].
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*[[Arsenate reductase|Arsenate reductase]]
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*[[Arsenate reductase 3D structures|Arsenate reductase 3D structures]]
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==Reference==
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__TOC__
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Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme., Martin P, DeMel S, Shi J, Gladysheva T, Gatti DL, Rosen BP, Edwards BF, Structure. 2001 Nov;9(11):1071-81. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11709171 11709171]
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</StructureSection>
[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Edwards, B.F.]]
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[[Category: Edwards BF]]
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[[Category: Martin, P.]]
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[[Category: Martin P]]
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[[Category: CS]]
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[[Category: SO4]]
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[[Category: TAS]]
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[[Category: arsc]]
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[[Category: arsenate]]
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[[Category: arsenite]]
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[[Category: reductase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:01:32 2007''
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Current revision

ARSENATE REDUCTASE+0.4M ARSENITE FROM E. COLI

PDB ID 1j9b

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