1qhi

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[[Image:1qhi.gif|left|200px]]
 
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{{Structure
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==HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE==
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|PDB= 1qhi |SIZE=350|CAPTION= <scene name='initialview01'>1qhi</scene>, resolution 1.9&Aring;
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<StructureSection load='1qhi' size='340' side='right'caption='[[1qhi]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=BPG:9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE'>BPG</scene>
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<table><tr><td colspan='2'>[[1qhi]] 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=1QHI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QHI FirstGlance]. <br>
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|ACTIVITY= [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]
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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]] 1.9&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BPG:9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE'>BPG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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}}
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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=1qhi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qhi OCA], [https://pdbe.org/1qhi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qhi RCSB], [https://www.ebi.ac.uk/pdbsum/1qhi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qhi ProSAT]</span></td></tr>
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</table>
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'''HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE'''
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== Function ==
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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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== Evolutionary Conservation ==
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==Overview==
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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/qh/1qhi_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=1qhi 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 ==
Treatment of herpes infections with nucleoside analogues requires as an initial step the activation of the compounds by thymidine kinase. As an aid to developing more effective chemotherapy, both for treatment of recurrent herpes infection and in gene therapy systems where thymidine kinase is expressed, two high-resolution X-ray structures of thymidine kinase have been compared: one with the relatively poor substrate aciclovir (Zovirax), the other with a synthetic inhibitor having an N2-substituted guanine. Both compounds have similar binding modes in spite of their size difference and apparently distinct ligand properties.
Treatment of herpes infections with nucleoside analogues requires as an initial step the activation of the compounds by thymidine kinase. As an aid to developing more effective chemotherapy, both for treatment of recurrent herpes infection and in gene therapy systems where thymidine kinase is expressed, two high-resolution X-ray structures of thymidine kinase have been compared: one with the relatively poor substrate aciclovir (Zovirax), the other with a synthetic inhibitor having an N2-substituted guanine. Both compounds have similar binding modes in spite of their size difference and apparently distinct ligand properties.
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==About this Structure==
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Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.,Bennett MS, Wien F, Champness JN, Batuwangala T, Rutherford T, Summers WC, Sun H, Wright G, Sanderson MR FEBS Lett. 1999 Jan 25;443(2):121-5. PMID:9989588<ref>PMID:9989588</ref>
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1QHI is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_herpesvirus_4 Human herpesvirus 4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QHI 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 to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir., Bennett MS, Wien F, Champness JN, Batuwangala T, Rutherford T, Summers WC, Sun H, Wright G, Sanderson MR, FEBS Lett. 1999 Jan 25;443(2):121-5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9989588 9989588]
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</div>
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[[Category: Human herpesvirus 4]]
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<div class="pdbe-citations 1qhi" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Thymidine kinase]]
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[[Category: Batuwangala, T.]]
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[[Category: Bennett, M S.]]
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[[Category: Champness, J N.]]
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[[Category: Rutherford, T.]]
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[[Category: Sanderson, M R.]]
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[[Category: Summers, W C.]]
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[[Category: Sun, H.]]
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[[Category: Wien, F.]]
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[[Category: Wright, G.]]
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[[Category: BPG]]
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[[Category: SO4]]
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[[Category: transferase]]
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[[Category: transferase ( phosphotransferase) thymidine kinase; viridae; ds-dna enveloped viruses; herpesviridae; alphaherpesvirinae novel inhibitor]]
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[[Category: transferase (phosphotransferase) thymidine]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:37:33 2008''
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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: Human alphaherpesvirus 1 strain 17]]
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[[Category: Large Structures]]
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[[Category: Batuwangala T]]
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[[Category: Bennett MS]]
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[[Category: Champness JN]]
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[[Category: Rutherford T]]
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[[Category: Sanderson MR]]
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[[Category: Summers WC]]
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[[Category: Sun H]]
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[[Category: Wien F]]
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[[Category: Wright G]]

Current revision

HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE

PDB ID 1qhi

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