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==Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir==
==Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir==
<StructureSection load='4eyr' size='340' side='right' caption='[[4eyr]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
<StructureSection load='4eyr' size='340' side='right'caption='[[4eyr]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4eyr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4EYR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EYR FirstGlance]. <br>
<table><tr><td colspan='2'>[[4eyr]] is a 2 chain structure with sequence from [https://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=4EYR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4EYR FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=RIT:RITONAVIR'>RIT</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1tw7|1tw7]], [[3oq7|3oq7]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=RIT:RITONAVIR'>RIT</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 9HIV1])</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4eyr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eyr OCA], [https://pdbe.org/4eyr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4eyr RCSB], [https://www.ebi.ac.uk/pdbsum/4eyr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4eyr ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4eyr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eyr OCA], [http://pdbe.org/4eyr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4eyr RCSB], [http://www.ebi.ac.uk/pdbsum/4eyr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4eyr ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://www.uniprot.org/uniprot/Q000H7_9HIV1 Q000H7_9HIV1]
Ritonavir (RTV) is a first generation HIV-1 protease inhibitor with rapidly emerging drug resistance. Mutations at residues 46, 54, 82 and 84 render the HIV-1 protease drug resistant against RTV. We report the crystal structure of multi-drug resistant (MDR) 769 HIV-1 protease (carrying resistant mutations at residues 10, 36, 46, 54, 62, 63, 71, 82, 84 and 90) complexed with RTV and the in vitro enzymatic IC(50) of RTV against MDR HIV-1 protease. The structural and functional studies demonstrate significant drug resistance of MDR HIV-1 protease against RTV, arising from reduced hydrogen bonds and Van der Waals interactions between RTV and MDR HIV-1 protease.
 
Insights into the mechanism of drug resistance: X-ray structure analysis of multi-drug resistant HIV-1 protease ritonavir complex.,Liu Z, Yedidi RS, Wang Y, Dewdney TG, Reiter SJ, Brunzelle JS, Kovari IA, Kovari LC Biochem Biophys Res Commun. 2013 Jan 8. pii: S0006-291X(13)00021-1. doi:, 10.1016/j.bbrc.2012.12.127. PMID:23313846<ref>PMID:23313846</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4eyr" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Virus protease|Virus protease]]
*[[Immunodeficiency virus protease 3D structures|Immunodeficiency virus protease 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Brunzelle, J S]]
[[Category: Human immunodeficiency virus 1]]
[[Category: Kovari, I A]]
[[Category: Large Structures]]
[[Category: Kovari, L C]]
[[Category: Brunzelle JS]]
[[Category: Liu, Z]]
[[Category: Kovari IA]]
[[Category: Wang, Y]]
[[Category: Kovari LC]]
[[Category: Yedidi, R S]]
[[Category: Liu Z]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Wang Y]]
[[Category: Protease]]
[[Category: Yedidi RS]]

Latest revision as of 14:06, 1 March 2024

Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavirCrystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir

Structural highlights

4eyr is a 2 chain structure with sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.8Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q000H7_9HIV1

See Also

4eyr, resolution 1.80Å

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