4jby

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==Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78==
==Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78==
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<StructureSection load='4jby' size='340' side='right' caption='[[4jby]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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<StructureSection load='4jby' size='340' side='right'caption='[[4jby]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4jby]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hhv-1 Hhv-1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JBY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4JBY FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4jby]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_alphaherpesvirus_1_strain_17 Human alphaherpesvirus 1 strain 17]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4JBY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4JBY FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FSK:6-[(1Z)-3-FLUORO-2-(HYDROXYMETHYL)PROP-1-EN-1-YL]-1,5-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE'>FSK</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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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&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3f0t|3f0t]], [[3rdp|3rdp]], [[1e2p|1e2p]], [[4ivp|4ivp]], [[4ivq|4ivq]], [[4ivr|4ivr]], [[4jbx|4jbx]]</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FSK:6-[(1Z)-3-FLUORO-2-(HYDROXYMETHYL)PROP-1-EN-1-YL]-1,5-DIMETHYLPYRIMIDINE-2,4(1H,3H)-DIONE'>FSK</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">TK, TK (UL23), UL23 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10299 HHV-1])</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=4jby FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jby OCA], [https://pdbe.org/4jby PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4jby RCSB], [https://www.ebi.ac.uk/pdbsum/4jby PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4jby ProSAT]</span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[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] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4jby FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4jby OCA], [http://pdbe.org/4jby PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4jby RCSB], [http://www.ebi.ac.uk/pdbsum/4jby PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4jby ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/KITH_HHV11 KITH_HHV11]] In latent infection, may allow the virus to be reactivated and to grow in cells lacking a high concentration of phosphorylated nucleic acid precursors, such as nerve cells that do not replicate their genome (By similarity).
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[https://www.uniprot.org/uniprot/KITH_HHV11 KITH_HHV11] In latent infection, may allow the virus to be reactivated and to grow in cells lacking a high concentration of phosphorylated nucleic acid precursors, such as nerve cells that do not replicate their genome (By similarity).
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Molecular modeling and phosphorylation assay in vitro were employed to select a novel unsaturated 1,3-dihydroxyisobutenyl thymine derivative 6 as ligand for HSV-1 TK which may be of interest as lead for the development of an positron emission tomography (PET) imaging agent. Compound 6 was successfully prepared using modified approaches. A significant improvement over the syntheses involving pathways A and B (1% and 3% overall yield, respectively), was observed using synthetic route C (14% overall yield).
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A new N-methyl thymine derivative comprising a dihydroxyisobutenyl unit as ligand for thymidine kinase of herpes simplex virus type 1 (HSV-1 TK).,Kristafor S, Novakovic I, Gazivoda Kraljevic T, Kraljevic Pavelic S, Lucin P, Westermaier Y, Pernot L, Scapozza L, Ametamey SM, Raic-Malic S Bioorg Med Chem Lett. 2011 Oct 15;21(20):6161-5. doi: 10.1016/j.bmcl.2011.07.115., Epub 2011 Aug 6. PMID:21911293<ref>PMID:21911293</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4jby" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Thymidine kinase|Thymidine kinase]]
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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__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Hhv-1]]
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[[Category: Human alphaherpesvirus 1 strain 17]]
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[[Category: Thymidine kinase]]
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[[Category: Large Structures]]
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[[Category: Novakovic, I]]
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[[Category: Novakovic I]]
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[[Category: Pernot, L]]
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[[Category: Pernot L]]
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[[Category: Perozzo, R]]
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[[Category: Perozzo R]]
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[[Category: Raic-Malic, S]]
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[[Category: Raic-Malic S]]
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[[Category: Scapozza, L]]
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[[Category: Scapozza L]]
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[[Category: Westermaier, Y]]
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[[Category: Westermaier Y]]
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[[Category: Atp binding]]
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[[Category: Dna synthesis]]
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[[Category: Nucleotide binding]]
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[[Category: Pet imaging tracer]]
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[[Category: Transferase]]
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Current revision

Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78

PDB ID 4jby

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