1qs4
From Proteopedia
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| - | [[Image:1qs4.gif|left|200px]] | + | [[Image:1qs4.gif|left|200px]] |
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| - | '''CORE DOMAIN OF HIV-1 INTEGRASE COMLEXED WITH MG++ AND 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE''' | + | {{Structure |
| + | |PDB= 1qs4 |SIZE=350|CAPTION= <scene name='initialview01'>1qs4</scene>, resolution 2.10Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene> and <scene name='pdbligand=100:1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE'>100</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/RNA-directed_DNA_polymerase RNA-directed DNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.49 2.7.7.49] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CORE DOMAIN OF HIV-1 INTEGRASE COMLEXED WITH MG++ AND 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE''' | ||
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==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1QS4 is a [ | + | 1QS4 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QS4 OCA]. |
==Reference== | ==Reference== | ||
| - | Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design., Goldgur Y, Craigie R, Cohen GH, Fujiwara T, Yoshinaga T, Fujishita T, Sugimoto H, Endo T, Murai H, Davies DR, Proc Natl Acad Sci U S A. 1999 Nov 9;96(23):13040-3. PMID:[http:// | + | Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design., Goldgur Y, Craigie R, Cohen GH, Fujiwara T, Yoshinaga T, Fujishita T, Sugimoto H, Endo T, Murai H, Davies DR, Proc Natl Acad Sci U S A. 1999 Nov 9;96(23):13040-3. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10557269 10557269] |
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: RNA-directed DNA polymerase]] | [[Category: RNA-directed DNA polymerase]] | ||
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[[Category: integrase]] | [[Category: integrase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:41:56 2008'' |
Revision as of 11:41, 20 March 2008
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| , resolution 2.10Å | |||||||
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| Ligands: | and | ||||||
| Activity: | RNA-directed DNA polymerase, with EC number 2.7.7.49 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CORE DOMAIN OF HIV-1 INTEGRASE COMLEXED WITH MG++ AND 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE
Overview
HIV integrase, the enzyme that inserts the viral DNA into the host chromosome, has no mammalian counterpart, making it an attractive target for antiviral drug design. As one of the three enzymes produced by HIV, it can be expected that inhibitors of this enzyme will complement the therapeutic use of HIV protease and reverse transcriptase inhibitors. We have determined the structure of a complex of the HIV-1 integrase core domain with a novel inhibitor, 5ClTEP, 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-pro penone, to 2.1-A resolution. The inhibitor binds centrally in the active site of the integrase and makes a number of close contacts with the protein. Only minor changes in the protein accompany inhibitor binding. This inhibitor complex will provide a platform for structure-based design of an additional class of inhibitors for antiviral therapy.
About this Structure
1QS4 is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design., Goldgur Y, Craigie R, Cohen GH, Fujiwara T, Yoshinaga T, Fujishita T, Sugimoto H, Endo T, Murai H, Davies DR, Proc Natl Acad Sci U S A. 1999 Nov 9;96(23):13040-3. PMID:10557269
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