3i0r

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[[Image:3i0r.png|left|200px]]
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==crystal structure of HIV reverse transcriptase in complex with inhibitor 3==
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<StructureSection load='3i0r' size='340' side='right' caption='[[3i0r]], [[Resolution|resolution]] 2.98&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3i0r]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hiv-1_m:b_hxb2r Hiv-1 m:b_hxb2r]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I0R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I0R FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=RT3:S-{2-[(2-CHLORO-4-SULFAMOYLPHENYL)AMINO]-2-OXOETHYL}+6-METHYL-3,4-DIHYDROQUINOLINE-1(2H)-CARBOTHIOATE'>RT3</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3i0s|3i0s]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">gag-pol, HIV-1 pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11706 HIV-1 M:B_HXB2R])</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3i0r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i0r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i0r RCSB], [http://www.ebi.ac.uk/pdbsum/3i0r PDBsum]</span></td></tr>
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<table>
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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/i0/3i0r_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/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are key elements of multidrug regimens, called HAART (Highly Active Antiretroviral Therapy), that are used to treat HIV-1 infections. Elucidation of the structure-activity relationships of the thiocarbamate moiety of the previous published lead compound 2 provided a series of novel tetrahydroquinoline derivatives as potent inhibitors of HIV-1 RT with nanomolar intrinsic activity on the WT and key mutant enzymes and potent antiviral activity in infected cells. The SAR optimization, mutation profiles, preparation of compounds, and pharmacokinetic profile of compounds are described.
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{{STRUCTURE_3i0r| PDB=3i0r | SCENE= }}
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Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.,Su DS, Lim JJ, Tinney E, Wan BL, Young MB, Anderson KD, Rudd D, Munshi V, Bahnck C, Felock PJ, Lu M, Lai MT, Touch S, Moyer G, Distefano DJ, Flynn JA, Liang Y, Sanchez R, Prasad S, Yan Y, Perlow-Poehnelt R, Torrent M, Miller M, Vacca JP, Williams TM, Anthony NJ Bioorg Med Chem Lett. 2009 Sep 1;19(17):5119-23. Epub 2009 Jul 10. PMID:19631528<ref>PMID:19631528</ref>
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===crystal structure of HIV reverse transcriptase in complex with inhibitor 3===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_19631528}}
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==About this Structure==
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[[3i0r]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hiv-1_m:b_hxb2r Hiv-1 m:b_hxb2r]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I0R OCA].
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==See Also==
==See Also==
*[[Reverse transcriptase|Reverse transcriptase]]
*[[Reverse transcriptase|Reverse transcriptase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:019631528</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Hiv-1 m:b_hxb2r]]
[[Category: Hiv-1 m:b_hxb2r]]
[[Category: Prasad, S.]]
[[Category: Prasad, S.]]

Revision as of 11:26, 29 September 2014

crystal structure of HIV reverse transcriptase in complex with inhibitor 3

3i0r, resolution 2.98Å

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