2ki5

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[[Image:2ki5.gif|left|200px]]<br /><applet load="2ki5" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2ki5.gif|left|200px]]
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caption="2ki5, resolution 1.90&Aring;" />
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'''HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION'''<br />
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{{Structure
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|PDB= 2ki5 |SIZE=350|CAPTION= <scene name='initialview01'>2ki5</scene>, resolution 1.90&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=AC2:9-HYROXYETHOXYMETHYLGUANINE'>AC2</scene>
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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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|GENE= TK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10376 Human herpesvirus 4])
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}}
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'''HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2KI5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_herpesvirus_4 Human herpesvirus 4] with <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=AC2:'>AC2</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. This structure supersedes the now removed PDB entry 1KI5. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KI5 OCA].
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2KI5 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_herpesvirus_4 Human herpesvirus 4]. This structure supersedes the now removed PDB entry 1KI5. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2KI5 OCA].
==Reference==
==Reference==
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=9989588 9989588]
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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]
[[Category: Human herpesvirus 4]]
[[Category: Human herpesvirus 4]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: transferase (phosphotransferase) thymidine kinase; viridae; ds-dna enveloped viruses; herpesviridae; alphaherpesvirinae antiviral drug (aciclovir)]]
[[Category: transferase (phosphotransferase) thymidine kinase; viridae; ds-dna enveloped viruses; herpesviridae; alphaherpesvirinae antiviral drug (aciclovir)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:06:56 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:46:20 2008''

Revision as of 15:46, 20 March 2008


PDB ID 2ki5

Drag the structure with the mouse to rotate
, resolution 1.90Å
Ligands: and
Gene: TK (Human herpesvirus 4)
Activity: Thymidine kinase, with EC number 2.7.1.21
Coordinates: save as pdb, mmCIF, xml



HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION


Overview

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.

About this Structure

2KI5 is a Single protein structure of sequence from Human herpesvirus 4. This structure supersedes the now removed PDB entry 1KI5. Full crystallographic information is available from OCA.

Reference

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

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