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[[Image:2f3k.jpg|left|200px]]
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{{STRUCTURE_2f3k|  PDB=2f3k  |  SCENE=  }}
'''Substrate envelope and drug resistance: crystal structure of r01 in complex with wild-type hiv-1 protease'''


==Substrate envelope and drug resistance: crystal structure of r01 in complex with wild-type hiv-1 protease==
<StructureSection load='2f3k' size='340' side='right'caption='[[2f3k]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2f3k]] 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=2F3K OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F3K FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.599&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=RO1:(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE'>RO1</scene></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=2f3k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f3k OCA], [https://pdbe.org/2f3k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f3k RCSB], [https://www.ebi.ac.uk/pdbsum/2f3k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f3k ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/O38708_9HIV1 O38708_9HIV1]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f3/2f3k_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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/main_output.php?pdb_ID=2f3k ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
In our previous crystallographic studies of human immunodeficiency virus type 1 (HIV-1) protease-substrate complexes, we described a conserved "envelope" that appears to be important for substrate recognition and the selection of drug-resistant mutations. In this study, the complex of HIV-1 protease with the inhibitor RO1 was determined and comparison with the substrate envelope provides a rationale for mutational patterns.


==Overview==
Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease.,Prabu-Jeyabalan M, King NM, Nalivaika EA, Heilek-Snyder G, Cammack N, Schiffer CA Antimicrob Agents Chemother. 2006 Apr;50(4):1518-21. PMID:16569872<ref>PMID:16569872</ref>
In our previous crystallographic studies of human immunodeficiency virus type 1 (HIV-1) protease-substrate complexes, we described a conserved "envelope" that appears to be important for substrate recognition and the selection of drug-resistant mutations. In this study, the complex of HIV-1 protease with the inhibitor RO1 was determined and comparison with the substrate envelope provides a rationale for mutational patterns.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
2F3K 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=2F3K OCA].
</div>
<div class="pdbe-citations 2f3k" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease., Prabu-Jeyabalan M, King NM, Nalivaika EA, Heilek-Snyder G, Cammack N, Schiffer CA, Antimicrob Agents Chemother. 2006 Apr;50(4):1518-21. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16569872 16569872]
*[[Immunodeficiency virus protease 3D structures|Immunodeficiency virus protease 3D structures]]
[[Category: HIV-1 retropepsin]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Human immunodeficiency virus 1]]
[[Category: Human immunodeficiency virus 1]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Cammack, N.]]
[[Category: Cammack N]]
[[Category: Heilek-Snyder, G.]]
[[Category: Heilek-Snyder G]]
[[Category: King, N M.]]
[[Category: King NM]]
[[Category: Nalivaika, E A.]]
[[Category: Nalivaika EA]]
[[Category: Prabu-Jeyabalan, M.]]
[[Category: Prabu-Jeyabalan M]]
[[Category: Schiffer, C A.]]
[[Category: Schiffer CA]]
[[Category: Drug resistance]]
[[Category: Hiv protease]]
[[Category: Ro1]]
[[Category: Substrate envelope]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 03:25:25 2008''

Latest revision as of 07:42, 23 August 2023

Substrate envelope and drug resistance: crystal structure of r01 in complex with wild-type hiv-1 protease

2f3k, resolution 1.60Å

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