2bqv: Difference between revisions
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==HIV-1 protease in complex with inhibitor AHA455== | |||
<StructureSection load='2bqv' size='340' side='right'caption='[[2bqv]], [[Resolution|resolution]] 2.10Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[2bqv]] 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=2BQV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BQV 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]] 2.1Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1A:6-AMINO+HEXANOIC+ACID'>A1A</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=2bqv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bqv OCA], [https://pdbe.org/2bqv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bqv RCSB], [https://www.ebi.ac.uk/pdbsum/2bqv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bqv ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/O92139_9HIV1 O92139_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/bq/2bqv_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=2bqv ConSurf]. | |||
<div style="clear:both"></div> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Novel HIV-1 protease inhibitors encompassing a tertiary alcohol as part of the transition-state mimicking unit have been synthesized. Variation of the P1'-P3' residues and alteration of the tertiary alcohol absolute stereochemistry afforded 10 inhibitors. High potencies for the compounds with (S)-configuration at the carbon carrying the tertiary hydroxyl group were achieved with Ki values down to 2.4 nM. X-ray crystallographic data for a representative compound in complex with HIV-1 protease are presented. | |||
A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.,Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A J Med Chem. 2005 Dec 15;48(25):8098-102. PMID:16335934<ref>PMID:16335934</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 2bqv" style="background-color:#fffaf0;"></div> | |||
== | ==See Also== | ||
*[[Immunodeficiency virus protease 3D structures|Immunodeficiency virus protease 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
== | |||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: Ekegren | [[Category: Ekegren JK]] | ||
[[Category: Hallberg | [[Category: Hallberg A]] | ||
[[Category: Samuelsson B]] | |||
[[Category: Samuelsson | [[Category: Schenk HV]] | ||
[[Category: Schenk | [[Category: Unge T]] | ||
[[Category: Unge | [[Category: Wallberg H]] | ||
[[Category: Wallberg | [[Category: Zreik Safa M]] | ||
[[Category: | |||
Latest revision as of 16:52, 13 December 2023
HIV-1 protease in complex with inhibitor AHA455HIV-1 protease in complex with inhibitor AHA455
Structural highlights
FunctionEvolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedNovel HIV-1 protease inhibitors encompassing a tertiary alcohol as part of the transition-state mimicking unit have been synthesized. Variation of the P1'-P3' residues and alteration of the tertiary alcohol absolute stereochemistry afforded 10 inhibitors. High potencies for the compounds with (S)-configuration at the carbon carrying the tertiary hydroxyl group were achieved with Ki values down to 2.4 nM. X-ray crystallographic data for a representative compound in complex with HIV-1 protease are presented. A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.,Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A J Med Chem. 2005 Dec 15;48(25):8098-102. PMID:16335934[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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