1w4r

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[[Image:1w4r.gif|left|200px]]<br />
 
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<applet load="1w4r" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1w4r, resolution 1.83&Aring;" />
 
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'''STRUCTURE OF A TYPE II THYMIDINE KINASE WITH BOUND DTTP'''<br />
 
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==Overview==
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==Structure of a type II thymidine kinase with bound dTTP==
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The structure of human cytosolic thymidine kinase in complex with its, feedback inhibitor 2'-deoxythymidine-5'-triphosphate was determined. This, structure is the first representative of the type II thymidine kinases, found in several pathogens. The structure deviates strongly from the known, structures of type I thymidine kinases such as the Herpes simplex enzyme., It contains a zinc-binding domain with four cysteines complexing a, structural zinc ion. Interestingly, the backbone atoms of the type II, enzyme bind thymine via hydrogen-bonds, in contrast to type I, where side, chains are involved. This results in a specificity difference exploited, for antiviral therapy. The presented structure will foster the development, of new drugs and prodrugs for numerous therapeutic applications.
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<StructureSection load='1w4r' size='340' side='right'caption='[[1w4r]], [[Resolution|resolution]] 1.83&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1w4r]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W4R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1W4R 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]] 1.83&#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=DTU:(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL'>DTU</scene>, <scene name='pdbligand=TTP:THYMIDINE-5-TRIPHOSPHATE'>TTP</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=1w4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w4r OCA], [https://pdbe.org/1w4r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1w4r RCSB], [https://www.ebi.ac.uk/pdbsum/1w4r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1w4r ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/KITH_HUMAN KITH_HUMAN]
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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/w4/1w4r_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1w4r 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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The structure of human cytosolic thymidine kinase in complex with its feedback inhibitor 2'-deoxythymidine-5'-triphosphate was determined. This structure is the first representative of the type II thymidine kinases found in several pathogens. The structure deviates strongly from the known structures of type I thymidine kinases such as the Herpes simplex enzyme. It contains a zinc-binding domain with four cysteines complexing a structural zinc ion. Interestingly, the backbone atoms of the type II enzyme bind thymine via hydrogen-bonds, in contrast to type I, where side chains are involved. This results in a specificity difference exploited for antiviral therapy. The presented structure will foster the development of new drugs and prodrugs for numerous therapeutic applications.
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==About this Structure==
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Structure of a type II thymidine kinase with bound dTTP.,Birringer MS, Claus MT, Folkers G, Kloer DP, Schulz GE, Scapozza L FEBS Lett. 2005 Feb 28;579(6):1376-82. PMID:15733844<ref>PMID:15733844</ref>
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1W4R is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with ZN, TTP and DTU as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thymidine_kinase Thymidine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.21 2.7.1.21] Structure known Active Site: AC1. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1W4R 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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Structure of a type II thymidine kinase with bound dTTP., Birringer MS, Claus MT, Folkers G, Kloer DP, Schulz GE, Scapozza L, FEBS Lett. 2005 Feb 28;579(6):1376-82. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15733844 15733844]
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</div>
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[[Category: Homo sapiens]]
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<div class="pdbe-citations 1w4r" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Thymidine kinase]]
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[[Category: Birringer, M.S.]]
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[[Category: Claus, M.T.]]
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[[Category: Folkers, G.]]
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[[Category: Kloer, D.P.]]
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[[Category: Scapozza, L.]]
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[[Category: Schulz, G.E.]]
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[[Category: DTU]]
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[[Category: TTP]]
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[[Category: ZN]]
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[[Category: cytosolic]]
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[[Category: human]]
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[[Category: kinase]]
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[[Category: phosphorylation]]
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[[Category: thymidine kinase]]
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[[Category: transferase]]
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[[Category: type ii]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 19:46:39 2007''
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==See Also==
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*[[Thymidine kinase 3D structures|Thymidine kinase 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: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Birringer MS]]
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[[Category: Claus MT]]
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[[Category: Folkers G]]
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[[Category: Kloer DP]]
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[[Category: Scapozza L]]
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[[Category: Schulz GE]]

Current revision

Structure of a type II thymidine kinase with bound dTTP

PDB ID 1w4r

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