6i45 - Revision history

OCA at 11:45, 24 January 2024

2024-01-24T11:45:59Z

←Older revision		Revision as of 11:45, 24 January 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[6i45]] is a 1 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=6I45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I45 FirstGlance]. <br>		<table><tr><td colspan='2'>[[6i45]] is a 1 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=6I45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I45 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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]] 1.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [https://pdbe.org/6i45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [https://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [https://pdbe.org/6i45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [https://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/Q50BW9_9HIV1 Q50BW9_9HIV1]]	+	[https://www.uniprot.org/uniprot/Q50BW9_9HIV1 Q50BW9_9HIV1]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 03:43, 8 September 2022

2022-09-08T03:43:55Z

←Older revision		Revision as of 03:43, 8 September 2022
Line 3:		Line 3:
	<StructureSection load='6i45' size='340' side='right'caption='[[6i45]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='6i45' size='340' side='right'caption='[[6i45]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i45]] is a 1 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=6I45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I45 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i45]] is a 1 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=6I45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I45 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">pol ([https://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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [https://pdbe.org/6i45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [https://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [https://pdbe.org/6i45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [https://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/Q50BW9_9HIV1 Q50BW9_9HIV1]]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human immunodeficiency virus 1]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Achilonu~~, I A~~]]	+	[[Category: Achilonu IA]]
-	[[Category: Dirr~~, H W~~]]	+	[[Category: Dirr HW]]
-	[[Category: Pandian, R]]	+	[[Category: Pandian R]]
-	[[Category: Sayed, Y]]	+	[[Category: Sayed Y]]
-	[[Category: Sherry, D]]	+	[[Category: Sherry D]]
-	~~[[Category: Aid]]~~	+
-	~~[[Category: Apo]]~~	+
-	~~[[Category: Hiv]]~~	+
-	~~[[Category: Human]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Protease~~]]	+

OCA at 04:56, 3 August 2022

2022-08-03T04:56:44Z

←Older revision		Revision as of 04:56, 3 August 2022
Line 3:		Line 3:
	<StructureSection load='6i45' size='340' side='right'caption='[[6i45]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='6i45' size='340' side='right'caption='[[6i45]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i45]] is a 1 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=6I45 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6I45 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i45]] is a 1 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=6I45 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I45 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">pol ([https://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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [~~http~~://pdbe.org/6i45 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [https://pdbe.org/6i45 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [https://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The global HIV/AIDS epidemic still currently affects approximately 38 million individuals globally. The protease enzyme of the human immunodeficiency virus is a major drug target in antiviral therapy, however, under the influence of reverse transcriptase and in the context of drug pressure, the rapid PR mutation rate contributes significantly to clinical failure. The set of cooperative non-active site mutations, I13V/I62V/V77I, have been associated with reduced inhibitor susceptibility and are the focus of the current study. When compared to the wild-type protease the mutant protease exhibited decreased binding affinities towards ATV and DRV by 64- and 12-fold, respectively, and decreased the overall favourable Gibbs free energy for ATV, DRV, RTV and SQV. Moreover, these mutations decreased the thermal stability of the protease when in complex with ATV and DRV by approximately 6.4 and 4.2 degrees C, respectively. The crystal structure of the mutant protease revealed that the location of these mutations and their effect on the hydrophobic sliding mechanism may be crucial in their role in resistance.
		+
		+	Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism.,Sherry D, Pandian R, Sayed Y Int J Biol Macromol. 2022 Jul 9;217:27-41. doi: 10.1016/j.ijbiomac.2022.07.033. PMID:35817239<ref>PMID:35817239</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6i45" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 10:12, 18 March 2020

2020-03-18T10:12:39Z

←Older revision		Revision as of 10:12, 18 March 2020
Line 3:		Line 3:
	<StructureSection load='6i45' size='340' side='right'caption='[[6i45]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='6i45' size='340' side='right'caption='[[6i45]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i45]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I45 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I45 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i45]] is a 1 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=6I45 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I45 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [http://pdbe.org/6i45 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [http://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [http://pdbe.org/6i45 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [http://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 09:12, 26 February 2020

2020-02-26T09:12:22Z

←Older revision		Revision as of 09:12, 26 February 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 6i45 is ON HOLD until Paper Publication~~	+	==Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation==
-		+	<StructureSection load='6i45' size='340' side='right'caption='[[6i45]], [[Resolution\|resolution]] 1.80Å' scene=''>
-	~~Authors: Sherry, D., Pandian, R., Achilonu, I.A., Dirr, H.W., Sayed, Y.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6i45]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I45 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I45 FirstGlance]. <br>
-	~~Description:~~ Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<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=6i45 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i45 OCA], [http://pdbe.org/6i45 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i45 RCSB], [http://www.ebi.ac.uk/pdbsum/6i45 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i45 ProSAT]</span></td></tr>
-	[[Category: Achilonu, I.A]]	+	</table>
-	[[Category: Dirr, H.W]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Achilonu, I A]]
		+	[[Category: Dirr, H W]]
	[[Category: Pandian, R]]		[[Category: Pandian, R]]
	[[Category: Sayed, Y]]		[[Category: Sayed, Y]]
	[[Category: Sherry, D]]		[[Category: Sherry, D]]
		+	[[Category: Aid]]
		+	[[Category: Apo]]
		+	[[Category: Hiv]]
		+	[[Category: Human]]
		+	[[Category: Hydrolase]]
		+	[[Category: Protease]]

OCA at 18:31, 2 December 2018

2018-12-02T18:31:44Z

←Older revision		Revision as of 18:31, 2 December 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6i45 is ON HOLD	+	The entry 6i45 is ON HOLD until Paper Publication

	Authors: Sherry, D., Pandian, R., Achilonu, I.A., Dirr, H.W., Sayed, Y.		Authors: Sherry, D., Pandian, R., Achilonu, I.A., Dirr, H.W., Sayed, Y.

OCA: Protected "6i45" [edit=sysop:move=sysop]

2018-11-14T06:23:48Z

Protected "6i45" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:23, 14 November 2018

OCA: New page: '''Unreleased structure''' The entry 6i45 is ON HOLD Authors: Sherry, D., Pandian, R., Achilonu, I.A., Dirr, H.W., Sayed, Y. Description: Crystal structure of I13V/I62V/V77I South Afri...

2018-11-14T06:23:46Z

New page: '''Unreleased structure''' The entry 6i45 is ON HOLD Authors: Sherry, D., Pandian, R., Achilonu, I.A., Dirr, H.W., Sayed, Y. Description: Crystal structure of I13V/I62V/V77I South Afri...

New page

'''Unreleased structure'''

The entry 6i45 is ON HOLD

Authors: Sherry, D., Pandian, R., Achilonu, I.A., Dirr, H.W., Sayed, Y.

Description: Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation
[[Category: Unreleased Structures]]
[[Category: Achilonu, I.A]]
[[Category: Dirr, H.W]]
[[Category: Pandian, R]]
[[Category: Sayed, Y]]
[[Category: Sherry, D]]