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1jro

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(New page: 200px<br /><applet load="1jro" size="450" color="white" frame="true" align="right" spinBox="true" caption="1jro, resolution 2.70&Aring;" /> '''Crystal Structure of...)
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[[Image:1jro.gif|left|200px]]<br /><applet load="1jro" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1jro, resolution 2.70&Aring;" />
 
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'''Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus'''<br />
 
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==Overview==
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==Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus==
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Xanthine dehydrogenase (XDH), a complex molybdo/iron-sulfur/flavoprotein, catalyzes the oxidation of hypoxanthine to xanthine followed by oxidation, of xanthine to uric acid with concomitant reduction of NAD+. The 2.7 A, resolution structure of Rhodobacter capsulatus XDH reveals that the, bacterial and bovine XDH have highly similar folds despite differences in, subunit composition. The NAD+ binding pocket of the bacterial XDH, resembles that of the dehydrogenase form of the bovine enzyme rather than, that of the oxidase form, which reduces O(2) instead of NAD+. The drug, allopurinol is used to treat XDH-catalyzed uric acid build-up occurring in, gout or during cancer chemotherapy. As a hypoxanthine analog, it is, oxidized to alloxanthine, which cannot be further oxidized but acts as a, tight binding inhibitor of XDH. The 3.0 A resolution structure of the, XDH-alloxanthine complex shows direct coordination of alloxanthine to the, molybdenum via a nitrogen atom. These results provide a starting point for, the rational design of new XDH inhibitors.
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<StructureSection load='1jro' size='340' side='right'caption='[[1jro]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1jro]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodobacter_capsulatus Rhodobacter capsulatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JRO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JRO 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]] 2.7&#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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=MOS:DIOXOTHIOMOLYBDENUM(VI)+ION'>MOS</scene>, <scene name='pdbligand=MTE:PHOSPHONIC+ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER'>MTE</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=1jro FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jro OCA], [https://pdbe.org/1jro PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jro RCSB], [https://www.ebi.ac.uk/pdbsum/1jro PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jro ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/O54050_RHOCA O54050_RHOCA]
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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/jr/1jro_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=1jro ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Xanthine dehydrogenase (XDH), a complex molybdo/iron-sulfur/flavoprotein, catalyzes the oxidation of hypoxanthine to xanthine followed by oxidation of xanthine to uric acid with concomitant reduction of NAD+. The 2.7 A resolution structure of Rhodobacter capsulatus XDH reveals that the bacterial and bovine XDH have highly similar folds despite differences in subunit composition. The NAD+ binding pocket of the bacterial XDH resembles that of the dehydrogenase form of the bovine enzyme rather than that of the oxidase form, which reduces O(2) instead of NAD+. The drug allopurinol is used to treat XDH-catalyzed uric acid build-up occurring in gout or during cancer chemotherapy. As a hypoxanthine analog, it is oxidized to alloxanthine, which cannot be further oxidized but acts as a tight binding inhibitor of XDH. The 3.0 A resolution structure of the XDH-alloxanthine complex shows direct coordination of alloxanthine to the molybdenum via a nitrogen atom. These results provide a starting point for the rational design of new XDH inhibitors.
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==About this Structure==
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Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus.,Truglio JJ, Theis K, Leimkuhler S, Rappa R, Rajagopalan KV, Kisker C Structure. 2002 Jan;10(1):115-25. PMID:11796116<ref>PMID:11796116</ref>
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1JRO is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Rhodobacter_capsulatus Rhodobacter capsulatus] with CA, FES, MPN, MOS and FAD as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Xanthine_dehydrogenase Xanthine dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.17.1.4 1.17.1.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JRO OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus., Truglio JJ, Theis K, Leimkuhler S, Rappa R, Rajagopalan KV, Kisker C, Structure. 2002 Jan;10(1):115-25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11796116 11796116]
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</div>
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[[Category: Protein complex]]
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<div class="pdbe-citations 1jro" style="background-color:#fffaf0;"></div>
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[[Category: Rhodobacter capsulatus]]
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[[Category: Xanthine dehydrogenase]]
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[[Category: Kisker, C.]]
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[[Category: Leimkuhler, S.]]
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[[Category: Rajagopalan, K.V.]]
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[[Category: Rappa, R.]]
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[[Category: Theis, K.]]
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[[Category: Truglio, J.J.]]
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[[Category: CA]]
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[[Category: FAD]]
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[[Category: FES]]
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[[Category: MOS]]
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[[Category: MPN]]
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[[Category: partial beta-barrel; xdh; xo]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 00:07:07 2007''
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==See Also==
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*[[Xanthine dehydrogenase 3D structures|Xanthine dehydrogenase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Rhodobacter capsulatus]]
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[[Category: Kisker C]]
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[[Category: Leimkuhler S]]
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[[Category: Rajagopalan KV]]
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[[Category: Rappa R]]
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[[Category: Theis K]]
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[[Category: Truglio JJ]]

Current revision

Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus

PDB ID 1jro

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