1ki6

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[[Image:1ki6.gif|left|200px]]
[[Image:1ki6.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1ki6 |SIZE=350|CAPTION= <scene name='initialview01'>1ki6</scene>, resolution 2.37&Aring;
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The line below this paragraph, containing "STRUCTURE_1ki6", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=AHU:1&#39;,5&#39;-ANHYDRO-2&#39;,3&#39;-DIDEOXY-2&#39;-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL'>AHU</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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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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or leave the SCENE parameter empty for the default display.
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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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|DOMAIN=
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{{STRUCTURE_1ki6| PDB=1ki6 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ki6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ki6 OCA], [http://www.ebi.ac.uk/pdbsum/1ki6 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ki6 RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH A 5-IODOURACIL ANHYDROHEXITOL NUCLEOSIDE'''
'''CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH A 5-IODOURACIL ANHYDROHEXITOL NUCLEOSIDE'''
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[[Category: Wien, F.]]
[[Category: Wien, F.]]
[[Category: 5-iodouracil anhydrohexitol nucleoside]]
[[Category: 5-iodouracil anhydrohexitol nucleoside]]
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[[Category: alphaherpesvirinae]]
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[[Category: Alphaherpesvirinae]]
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[[Category: ds-dna enveloped viruse]]
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[[Category: Ds-dna enveloped viruse]]
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[[Category: herpesviridae]]
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[[Category: Herpesviridae]]
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[[Category: phosphotransferase]]
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[[Category: Phosphotransferase]]
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[[Category: substrate analog]]
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[[Category: Substrate analog]]
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[[Category: thymidine kinase]]
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[[Category: Thymidine kinase]]
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[[Category: viridae]]
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[[Category: Viridae]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 22:46:43 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:48:56 2008''
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Revision as of 19:46, 2 May 2008

Image:1ki6.gif

Template:STRUCTURE 1ki6

CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH A 5-IODOURACIL ANHYDROHEXITOL NUCLEOSIDE


Overview

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.

About this Structure

1KI6 is a Protein complex structure of sequences from Human herpesvirus 1. Full crystallographic information is available from OCA.

Reference

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:9715911 Page seeded by OCA on Fri May 2 22:46:43 2008

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