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==Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10==
==Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10==
<StructureSection load='4ivr' size='340' side='right' caption='[[4ivr]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
<StructureSection load='4ivr' size='340' side='right'caption='[[4ivr]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4ivr]] 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=4IVR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4IVR FirstGlance]. <br>
<table><tr><td colspan='2'>[[4ivr]] 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=4IVR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4IVR FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=N50:2-[(2,6-DIMETHOXY-5-METHYLPYRIMIDIN-4-YL)METHYLIDENE]PROPANE-1,3-DIOL'>N50</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=N50:2-[(2,6-DIMETHOXY-5-METHYLPYRIMIDIN-4-YL)METHYLIDENE]PROPANE-1,3-DIOL'>N50</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
<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]]</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4ivr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ivr OCA], [https://pdbe.org/4ivr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ivr RCSB], [https://www.ebi.ac.uk/pdbsum/4ivr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ivr ProSAT]</span></td></tr>
<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>
<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>
<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=4ivr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ivr OCA], [http://pdbe.org/4ivr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ivr RCSB], [http://www.ebi.ac.uk/pdbsum/4ivr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ivr ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[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).
[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).
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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).


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>
==See Also==
 
*[[Thymidine kinase 3D structures|Thymidine kinase 3D structures]]
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4ivr" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Hhv-1]]
[[Category: Human alphaherpesvirus 1 strain 17]]
[[Category: Thymidine kinase]]
[[Category: Large Structures]]
[[Category: Novakovic, I]]
[[Category: Novakovic I]]
[[Category: Pernot, L]]
[[Category: Pernot L]]
[[Category: Perozzo, R]]
[[Category: Perozzo R]]
[[Category: Raic-Malic, S]]
[[Category: Raic-Malic S]]
[[Category: Scapozza, L]]
[[Category: Scapozza L]]
[[Category: Westermaier, Y]]
[[Category: Westermaier Y]]
[[Category: Atp binding]]
[[Category: Dna synthesis]]
[[Category: Nucleotide binding]]
[[Category: Pet imaging tracer]]
[[Category: Transferase]]

Revision as of 21:14, 16 November 2022

Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10

4ivr, resolution 2.40Å

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