2fle - Revision history

OCA at 09:28, 30 August 2023

2023-08-30T09:28:31Z

← Older revision		Revision as of 09:28, 30 August 2023
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	<StructureSection load='2fle' size='340' side='right'caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2fle' size='340' side='right'caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2fle]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~9hiv1 9hiv1~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FLE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2FLE FirstGlance]. <br>		<table><tr><td colspan='2'>[[2fle]] 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2FLE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.9Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [https://pdbe.org/2fle PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [https://www.ebi.ac.uk/pdbsum/2fle PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2fle ProSAT]</span></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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [https://pdbe.org/2fle PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [https://www.ebi.ac.uk/pdbsum/2fle PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2fle ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/Q9J2R0_9HIV1 Q9J2R0_9HIV1]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Human immunodeficiency virus 1]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Clemente~~, J C~~]]		[[Category: Clemente JC]]
	[[Category: Dunn~~, B M~~]]		[[Category: Dunn BM]]
	[[Category: Robbins, A]]		[[Category: Robbins A]]
	[[Category: Sussman, F]]		[[Category: Sussman F]]
	~~[[Category: Hiv-1 protease]]~~
	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~
	~~[[Category: Induced fit]]~~
	~~[[Category: Inhibitor]]~~
	~~[[Category: Resistance~~]]

OCA at 09:55, 5 May 2021

2021-05-05T09:55:13Z

← Older revision		Revision as of 09:55, 5 May 2021
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	<StructureSection load='2fle' size='340' side='right'caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2fle' size='340' side='right'caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2fle]] 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2FLE FirstGlance]. <br>		<table><tr><td colspan='2'>[[2fle]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FLE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2FLE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [~~http~~://pdbe.org/2fle PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2fle PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2fle ProSAT]</span></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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [https://pdbe.org/2fle PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [https://www.ebi.ac.uk/pdbsum/2fle PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2fle ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 09:24, 24 July 2019

2019-07-24T09:24:42Z

← Older revision		Revision as of 09:24, 24 July 2019
Line 1:		Line 1:

	==Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant==		==Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant==
	<StructureSection load='2fle' size='340' side='right' caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2fle' size='340' side='right'caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2fle]] 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>		<table><tr><td colspan='2'>[[2fle]] 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/fl/2fle_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/fl/2fle_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 30:		Line 30:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Large Structures]]
	[[Category: Clemente, J C]]		[[Category: Clemente, J C]]
	[[Category: Dunn, B M]]		[[Category: Dunn, B M]]

OCA at 07:40, 18 October 2017

2017-10-18T07:40:36Z

← Older revision		Revision as of 07:40, 18 October 2017
Line 1:		Line 1:

	==Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant==		==Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant==
	<StructureSection load='2fle' size='340' side='right' caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2fle' size='340' side='right' caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>
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	<table><tr><td colspan='2'>[[2fle]] 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>		<table><tr><td colspan='2'>[[2fle]] 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [http://pdbe.org/2fle PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [http://www.ebi.ac.uk/pdbsum/2fle PDBsum]</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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [http://pdbe.org/2fle PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [http://www.ebi.ac.uk/pdbsum/2fle PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2fle ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	</div>		</div>
	<div class="pdbe-citations 2fle" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2fle" style="background-color:#fffaf0;"></div>

	~~==See Also==~~
	*[[Virus protease\|Virus protease]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 05:07, 10 February 2016

2016-02-10T05:07:53Z

← Older revision		Revision as of 05:07, 10 February 2016
Line 14:		Line 14:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</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/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].		</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=2fle ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 05:40, 11 September 2015

2015-09-11T05:40:30Z

← Older revision		Revision as of 05:40, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='2fle' size='340' side='right' caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2fle' size='340' side='right' caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2fle]] is a 2 chain structure with 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>		<table><tr><td colspan='2'>[[2fle]] 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [http://www.ebi.ac.uk/pdbsum/2fle PDBsum]</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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [http://pdbe.org/2fle PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [http://www.ebi.ac.uk/pdbsum/2fle PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 24:		Line 24:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
			<div class="pdbe-citations 2fle" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 31:		Line 32:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	~~[[Category: Human immunodeficiency virus 1]]~~
	[[Category: Clemente, J C]]		[[Category: Clemente, J C]]
	[[Category: Dunn, B M]]		[[Category: Dunn, B M]]

OCA at 09:16, 16 January 2015

2015-01-16T09:16:58Z

← Older revision		Revision as of 09:16, 16 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2fle]] is a 2 chain structure with 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>		<table><tr><td colspan='2'>[[2fle]] is a 2 chain structure with 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [http://www.ebi.ac.uk/pdbsum/2fle PDBsum]</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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [http://www.ebi.ac.uk/pdbsum/2fle PDBsum]</span></td></tr>
	<table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 32:		Line 32:
	</StructureSection>		</StructureSection>
	[[Category: Human immunodeficiency virus 1]]		[[Category: Human immunodeficiency virus 1]]
	[[Category: Clemente, J C.]]		[[Category: Clemente, J C]]
	[[Category: Dunn, B M.]]		[[Category: Dunn, B M]]
	[[Category: Robbins, A.]]		[[Category: Robbins, A]]
	[[Category: Sussman, F.]]		[[Category: Sussman, F]]
	[[Category: Hiv-1 protease]]		[[Category: Hiv-1 protease]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 03:06, 29 September 2014

2014-09-29T03:06:41Z

← Older revision		Revision as of 03:06, 29 September 2014
Line 1:		Line 1:
	[[Image:~~2fle~~.~~png~~\|~~left~~\|~~200px~~]]		==Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant==
			<StructureSection load='2fle' size='340' side='right' caption='[[2fle]], [[Resolution\|resolution]] 1.90Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[2fle]] is a 2 chain structure with 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=2FLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2FLE FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AI:(2S,2S)-N,N-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]'>AI</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene><br>
			<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=2fle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fle OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2fle RCSB], [http://www.ebi.ac.uk/pdbsum/2fle PDBsum]</span></td></tr>
			<table>
			== 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/fl/2fle_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/chain_selection.php?pdb_ID=2ata ConSurf].
			<div style="clear:both"></div>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			In our quest for HIV-1 protease inhibitors that are not affected by the V82A resistance mutation, we have synthesized and tested a second generation set of C2-symmetric HIV-1 protease inhibitors that contain a cyclohexane group at P1 and/or P1'. The binding affinity results indicate that these compounds have an improved response to the appearance of the V82A mutation than the parent compound. The X-ray structure of one of these compounds with the V82A HIV-1 PR variant provides the structural rationale for the better resistance profile of these compounds. Moreover, scrutiny of the X-ray structure suggests that the ring of the Cha side chain might be in a boat rather than in the chair conformation, a result supported by molecular dynamics simulations.

	~~{{STRUCTURE_2fle\| PDB=2fle \| SCENE= }}~~		Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation.,Clemente JC, Robbins A, Grana P, Paleo MR, Correa JF, Villaverde MC, Sardina FJ, Govindasamy L, Agbandje-McKenna M, McKenna R, Dunn BM, Sussman F J Med Chem. 2008 Feb 28;51(4):852-60. Epub 2008 Jan 24. PMID:18215016<ref>PMID:18215016</ref>

	~~===Structural analysis~~ of ~~asymmetric inhibitor bound to~~ the ~~HIV-1 Protease V82A mutant===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_18215016}}~~

	~~==About this Structure==~~
	~~[[2fle]] is a 2 chain structure with 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=2FLE OCA].~~

	==See Also==		==See Also==
	*[[Virus protease\|Virus protease]]		*[[Virus protease\|Virus protease]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:018215016<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Human immunodeficiency virus 1]]		[[Category: Human immunodeficiency virus 1]]
	[[Category: Clemente, J C.]]		[[Category: Clemente, J C.]]

OCA at 16:26, 20 October 2012

2012-10-20T16:26:10Z

← Older revision		Revision as of 16:26, 20 October 2012
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	==About this Structure==		==About this Structure==
	[[2fle]] is a 2 chain structure ~~of [[Virus protease]]~~ with 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=2FLE OCA].		[[2fle]] is a 2 chain structure with 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=2FLE OCA].

	==See Also==		==See Also==

OCA: Protected "2fle" [edit=sysop:move=sysop]

2012-07-26T21:40:55Z

Protected "2fle" [edit=sysop:move=sysop]

← Older revision	Revision as of 21:40, 26 July 2012
(No difference)