2l94

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[[Image:2l94.png|left|200px]]
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==Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication==
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<StructureSection load='2l94' size='340' side='right' caption='[[2l94]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''>
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== Structural highlights ==
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[[2l94]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2L94 OCA]. <br>
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<b>Related:</b> [[1z2j|1z2j]]<br>
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<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>
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== Publication Abstract from PubMed ==
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Programmed -1 translational frameshifting is an essential event in the replication cycle of HIV. Frameshifting is required for expression of the viral Pol proteins, and drug-like molecules that target this process may inhibit HIV replication. A small molecule stimulator of HIV-1 frameshifting and inhibitor of viral replication, DB213 (RG501), was previously discovered from a high-throughput screen. However, the mechanistic basis for this compound's effects was unknown, and to date no structural information exists for small molecule effectors of frameshifting. Here, we investigate the binding of DB213 to the frameshift site RNA and have determined the structure of this complex by NMR. Binding of DB213 stabilizes the RNA and increases its melting temperature by 10 degrees C. The ligand binds to a primary site on the RNA stem-loop, although nonspecific interactions are also detected. The compound binds in the major groove and spans a distance of 9 base pairs. DB213 hydrogen bonds to phosphate groups on opposite sides of the major groove and alters the conformation of a conserved GGA bulge in the RNA. This study may provide a starting point for structure-based optimization of compounds targeting the HIV-1 frameshift site RNA.
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Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication.,Marcheschi RJ, Tonelli M, Kumar A, Butcher SE ACS Chem Biol. 2011 Aug 19;6(8):857-64. Epub 2011 Jun 15. PMID:21648432<ref>PMID:21648432</ref>
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The line below this paragraph, containing "STRUCTURE_2l94", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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{{STRUCTURE_2l94| PDB=2l94 | SCENE= }}
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===Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_21648432}}, adds the Publication Abstract to the page
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</StructureSection>
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(as it appears on PubMed at http://www.pubmed.gov), where 21648432 is the PubMed ID number.
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{{ABSTRACT_PUBMED_21648432}}
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==About this Structure==
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[[2l94]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2L94 OCA].
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==Reference==
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<ref group="xtra">PMID:021648432</ref><references group="xtra"/>
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[[Category: Butcher, S E.]]
[[Category: Butcher, S E.]]
[[Category: Kumar, A.]]
[[Category: Kumar, A.]]

Revision as of 08:31, 30 April 2014

Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication

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