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4z50

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Revision as of 07:39, 10 May 2023

Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap

Structural highlights

4z50 is a 4 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.
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q0PQ60_9HIV1

Publication Abstract from PubMed

Molecular mechanisms leading to high level drug resistance have been analyzed for the clinical variant of HIV-1 protease bearing 20 mutations (PR20); which has several orders of magnitude worse affinity for tested drugs. Two crystal structures of ligand-free PR20 with the D25N mutation of the catalytic aspartate (PR20D25N) revealed three dimers with different flap conformations. The diverse conformations of PR20D25N included a dimer with one flap in a unique "tucked" conformation; directed into the active site. Analysis of molecular dynamics (MD) simulations of the ligand-free PR20 and wild-type enzymes showed that the mutations in PR20 alter the correlated interactions between two monomers in the dimer. The two flaps tend to fluctuate more independently in PR20 than in the wild type enzyme. Combining the results of structural analysis by X-ray crystallography and MD simulations; unusual flap conformations and weakly correlated inter-subunit motions may contribute to the high level resistance of PR20.

Conformational variation of an extreme drug resistant mutant of HIV protease.,Shen CH, Chang YC, Agniswamy J, Harrison RW, Weber IT J Mol Graph Model. 2015 Sep 8;62:87-96. doi: 10.1016/j.jmgm.2015.09.006. PMID:26397743^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Shen CH, Chang YC, Agniswamy J, Harrison RW, Weber IT. Conformational variation of an extreme drug resistant mutant of HIV protease. J Mol Graph Model. 2015 Sep 8;62:87-96. doi: 10.1016/j.jmgm.2015.09.006. PMID:26397743 doi:http://dx.doi.org/10.1016/j.jmgm.2015.09.006

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 See Also
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4z50"

Categories: Human immunodeficiency virus 1 | Large Structures | Agniswamy J | Shen C-H | Weber IT

@@ Line 3: / Line 3: @@
 <StructureSection load='4z50' size='340' side='right'caption='[[4z50]], [[Resolution|resolution]] 1.45&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[4z50]] is a 4 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=4Z50 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Z50 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[4z50]] is a 4 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=4Z50 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Z50 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4z4x|4z4x]]</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=4z50 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4z50 OCA], [https://pdbe.org/4z50 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4z50 RCSB], [https://www.ebi.ac.uk/pdbsum/4z50 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4z50 ProSAT]</span></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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4z50 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4z50 OCA], [http://pdbe.org/4z50 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4z50 RCSB], [http://www.ebi.ac.uk/pdbsum/4z50 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4z50 ProSAT]</span></td></tr>
 </table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q0PQ60_9HIV1 Q0PQ60_9HIV1]
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 25: / Line 25: @@
 __TOC__
 </StructureSection>
+[[Category: Human immunodeficiency virus 1]]
 [[Category: Large Structures]]
-[[Category: Agniswamy, J]]
+[[Category: Agniswamy J]]
-[[Category: Shen, C H]]
+[[Category: Shen C-H]]
-[[Category: Weber, I T]]
+[[Category: Weber IT]]
-[[Category: Hiv-1 protease]]
-[[Category: Hydrolase]]

4z50

From Proteopedia

Revision as of 07:39, 10 May 2023

Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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