1kim

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[[Image:1kim.gif|left|200px]]
 
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{{Structure
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==CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE==
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|PDB= 1kim |SIZE=350|CAPTION= <scene name='initialview01'>1kim</scene>, resolution 2.14&Aring;
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<StructureSection load='1kim' size='340' side='right'caption='[[1kim]], [[Resolution|resolution]] 2.14&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>, <scene name='pdbligand=THM:THYMIDINE'>THM</scene>
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<table><tr><td colspan='2'>[[1kim]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_alphaherpesvirus_1_strain_17 Human alphaherpesvirus 1 strain 17]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1kin 1kin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KIM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1KIM FirstGlance]. <br>
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|ACTIVITY= <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>
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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]] 2.14&#8491;</td></tr>
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|GENE= TK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10298 Human herpesvirus 1])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=THM:THYMIDINE'>THM</scene></td></tr>
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|DOMAIN=
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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=1kim FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kim OCA], [https://pdbe.org/1kim PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1kim RCSB], [https://www.ebi.ac.uk/pdbsum/1kim PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1kim ProSAT]</span></td></tr>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1kim FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kim OCA], [http://www.ebi.ac.uk/pdbsum/1kim PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1kim RCSB]</span>
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== Function ==
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}}
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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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[[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/ki/1kim_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=1kim ConSurf].
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<div style="clear:both"></div>
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'''CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE'''
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==See Also==
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*[[Thymidine kinase 3D structures|Thymidine kinase 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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Antiherpes therapies are principally targeted at viral thymidine kinases and utilize nucleoside analogs, the triphosphates of which are inhibitors of viral DNA polymerase or result in toxic effects when incorporated into DNA. The most frequently used drug, aciclovir (Zovirax), is a relatively poor substrate for thymidine kinase and high-resolution structural information on drugs and other molecules binding to the target is therefore important for the design of novel and more potent chemotherapy, both in antiherpes treatment and in gene therapy systems where thymidine kinase is expressed. Here, we report for the first time the binary complexes of HSV-1 thymidine kinase (TK) with the drug molecules aciclovir and penciclovir, determined by X-ray crystallography at 2.37 A resolution. Moreover, from new data at 2.14 A resolution, the refined structure of the complex of TK with its substrate deoxythymidine (R = 0.209 for 96% of all data) now reveals much detail concerning substrate and solvent interactions with the enzyme. Structures of the complexes of TK with four halogen-containing substrate analogs have also been solved, to resolutions better than 2.4 A. The various TK inhibitors broadly fall into three groups which together probe the space of the enzyme active site in a manner that no one molecule does alone, so giving a composite picture of active site interactions that can be exploited in the design of novel compounds.
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[[Category: Human alphaherpesvirus 1 strain 17]]
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[[Category: Large Structures]]
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==About this Structure==
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[[Category: Bennett MS]]
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1KIM is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_herpesvirus_1 Human herpesvirus 1]. This structure supersedes the now removed PDB entry 1KIN. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KIM OCA].
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[[Category: Brown DG]]
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[[Category: Champness JN]]
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==Reference==
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[[Category: Davies A]]
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Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands., Champness JN, Bennett MS, Wien F, Visse R, Summers WC, Herdewijn P, de Clerq E, Ostrowski T, Jarvest RL, Sanderson MR, Proteins. 1998 Aug 15;32(3):350-61. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9715911 9715911]
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[[Category: Melitz C]]
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[[Category: Human herpesvirus 1]]
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[[Category: Rizkallah PJ]]
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[[Category: Single protein]]
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[[Category: Sanderson MR]]
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[[Category: Thymidine kinase]]
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[[Category: Sandhu G]]
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[[Category: Bennett, M S.]]
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[[Category: Summers WC]]
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[[Category: Brown, D G.]]
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[[Category: Visse R]]
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[[Category: Champness, J N.]]
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[[Category: Wien F]]
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[[Category: Davies, A.]]
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[[Category: Melitz, C.]]
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[[Category: Rizkallah, P J.]]
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[[Category: Sanderson, M R.]]
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[[Category: Sandhu, G.]]
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[[Category: Summers, W C.]]
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[[Category: Visse, R.]]
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[[Category: Wien, F.]]
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[[Category: alphaherpesvirinae]]
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[[Category: ds-dna enveloped viruse]]
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[[Category: herpesviridae]]
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[[Category: phosphotransferase]]
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[[Category: thymidine kinase]]
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[[Category: transferase]]
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[[Category: viridae]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:49:06 2008''
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Current revision

CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE

PDB ID 1kim

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