2okb

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(New page: 200px<br /><applet load="2okb" size="350" color="white" frame="true" align="right" spinBox="true" caption="2okb, resolution 2.15&Aring;" /> '''High Resolution Crys...)
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[[Image:2okb.jpg|left|200px]]<br /><applet load="2okb" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2okb, resolution 2.15&Aring;" />
 
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'''High Resolution Crystal Structures of Vaccinia Virus dUTPase'''<br />
 
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==Overview==
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==High Resolution Crystal Structures of Vaccinia Virus dUTPase==
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Deoxyuridine triphosphate nucleotidohydrolase (dUTPase) catalyzes the, hydrolysis of dUTP to dUMP and pyrophosphate in the presence of Mg(2+), ions. The enzyme plays multiple cellular roles by maintaining a low, dUTP:dTTP ratio and by synthesizing the substrate for thymidylate synthase, in the biosynthesis of dTTP. Although dUTPase is an essential enzyme and, has been established as a valid target for drug design, the high degree of, homology of vaccinia virus dUTPase to the human enzyme makes the, identification of selective inhibitors difficult. The crystal structure of, vaccinia virus dUTPase has been solved and the active site has been mapped, by crystallographic analysis of the apo enzyme and of complexes with the, substrate-analog dUMPNPP, with the product dUMP and with dUDP, which acts, as an inhibitor. Analyses of these structures reveal subtle differences, between the viral and human enzymes. In particular, the much larger size, of the central channel at the trimer interface suggests new possibilities, for structure-based drug design. Vaccinia virus is a prototype of the, poxviruses.
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<StructureSection load='2okb' size='340' side='right'caption='[[2okb]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2okb]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Vaccinia_virus Vaccinia virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OKB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OKB 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]] 2.15&#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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=2okb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2okb OCA], [https://pdbe.org/2okb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2okb RCSB], [https://www.ebi.ac.uk/pdbsum/2okb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2okb ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/DUT_VACCW DUT_VACCW] This enzyme is involved in nucleotide metabolism: it produces dUMP, the immediate precursor of thymidine nucleotides and it decreases the intracellular concentration of dUTP so that uracil cannot be incorporated into DNA.<ref>PMID:18321387</ref>
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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/ok/2okb_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=2okb 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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Deoxyuridine triphosphate nucleotidohydrolase (dUTPase) catalyzes the hydrolysis of dUTP to dUMP and pyrophosphate in the presence of Mg(2+) ions. The enzyme plays multiple cellular roles by maintaining a low dUTP:dTTP ratio and by synthesizing the substrate for thymidylate synthase in the biosynthesis of dTTP. Although dUTPase is an essential enzyme and has been established as a valid target for drug design, the high degree of homology of vaccinia virus dUTPase to the human enzyme makes the identification of selective inhibitors difficult. The crystal structure of vaccinia virus dUTPase has been solved and the active site has been mapped by crystallographic analysis of the apo enzyme and of complexes with the substrate-analog dUMPNPP, with the product dUMP and with dUDP, which acts as an inhibitor. Analyses of these structures reveal subtle differences between the viral and human enzymes. In particular, the much larger size of the central channel at the trimer interface suggests new possibilities for structure-based drug design. Vaccinia virus is a prototype of the poxviruses.
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==About this Structure==
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Structures of vaccinia virus dUTPase and its nucleotide complexes.,Samal A, Schormann N, Cook WJ, DeLucas LJ, Chattopadhyay D Acta Crystallogr D Biol Crystallogr. 2007 May;63(Pt 5):571-80. Epub 2007, Apr 21. PMID:17452782<ref>PMID:17452782</ref>
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2OKB is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Vaccinia_virus Vaccinia virus] with <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=CL:'>CL</scene> and <scene name='pdbligand=EDO:'>EDO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/dUTP_diphosphatase dUTP diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.23 3.6.1.23] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OKB 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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Structures of vaccinia virus dUTPase and its nucleotide complexes., Samal A, Schormann N, Cook WJ, Delucas LJ, Chattopadhyay D, Acta Crystallogr D Biol Crystallogr. 2007 May;63(Pt 5):571-80. Epub 2007, Apr 21. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17452782 17452782]
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</div>
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[[Category: Single protein]]
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<div class="pdbe-citations 2okb" style="background-color:#fffaf0;"></div>
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[[Category: Vaccinia virus]]
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[[Category: dUTP diphosphatase]]
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[[Category: Chattopadhyay, D.]]
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[[Category: Schormann, N.]]
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[[Category: CL]]
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[[Category: EDO]]
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[[Category: SO4]]
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[[Category: dutpase-like]]
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[[Category: fold]]
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[[Category: forms tight trimer through an additional beta-sheet in each subunit]]
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[[Category: jelly-roll]]
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[[Category: subunit beta-sheets are orthogonally packed around the three-fold axis]]
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[[Category: superfamily]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 15:28:30 2008''
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==See Also==
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*[[DUTPase 3D structures|DUTPase 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: Vaccinia virus]]
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[[Category: Chattopadhyay D]]
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[[Category: Schormann N]]

Current revision

High Resolution Crystal Structures of Vaccinia Virus dUTPase

PDB ID 2okb

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