6rwd - Revision history

OCA at 12:29, 24 January 2024

OCA — Wed, 24 Jan 2024 12:29:59 GMT

←Older revision		Revision as of 12:29, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6rwd' size='340' side='right'caption='[[6rwd]], [[Resolution\|resolution]] 1.53Å' scene=''>		<StructureSection load='6rwd' size='340' side='right'caption='[[6rwd]], [[Resolution\|resolution]] 1.53Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6rwd]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Blood_fluke Blood fluke~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RWD OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6RWD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6rwd]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Schistosoma_japonicum Schistosoma japonicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RWD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6RWD FirstGlance]. <br>
-	</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=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=REF:2,3,7,8-TETRAHYDROXYCHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE'>REF</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]] 1.53Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1ua5\|1ua5]]</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=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=REF:2,3,7,8-TETRAHYDROXYCHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE'>REF</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutathione_transferase Glutathione transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.18 2.5.1.18] </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=6rwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rwd OCA], [https://pdbe.org/6rwd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6rwd RCSB], [https://www.ebi.ac.uk/pdbsum/6rwd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6rwd ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6rwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rwd OCA], [~~http~~://pdbe.org/6rwd PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6rwd RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6rwd PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6rwd ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/GST26_SCHJA GST26_SCHJA]] Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.	+	[https://www.uniprot.org/uniprot/GST26_SCHJA GST26_SCHJA] Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Blood fluke]]
-	[[Category: Glutathione transferase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Achilonu, I A]]
-	[[Category: Dirr, H W]]
-	[[Category: Olfsen, J]]
-	[[Category: Pandian, R]]
-	[[Category: Sayed, Y]]
-	[[Category: Ellagic acid]]
-	[[Category: Gsh]]
	[[Category: Schistosoma japonicum]]		[[Category: Schistosoma japonicum]]
-	[[Category: ~~Sjgst~~]]	+	[[Category: Achilonu IA]]
-	[[Category: ~~Transferase~~]]	+	[[Category: Dirr HW]]
		+	[[Category: Olfsen J]]
		+	[[Category: Pandian R]]
		+	[[Category: Sayed Y]]

OCA at 08:34, 21 October 2020

OCA — Wed, 21 Oct 2020 08:34:44 GMT

←Older revision		Revision as of 08:34, 21 October 2020
Line 3:		Line 3:
	<StructureSection load='6rwd' size='340' side='right'caption='[[6rwd]], [[Resolution\|resolution]] 1.53Å' scene=''>		<StructureSection load='6rwd' size='340' side='right'caption='[[6rwd]], [[Resolution\|resolution]] 1.53Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6rwd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Blood_fluke Blood fluke]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RWD OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6RWD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6rwd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Blood_fluke Blood fluke]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RWD OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6RWD 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=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=REF:2,3,7,8-TETRAHYDROXYCHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE'>REF</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=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=REF:2,3,7,8-TETRAHYDROXYCHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE'>REF</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1ua5\|1ua5]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1ua5\|1ua5]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutathione_transferase Glutathione transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.18 2.5.1.18] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutathione_transferase Glutathione transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.18 2.5.1.18] </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=6rwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rwd OCA], [http://pdbe.org/6rwd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rwd RCSB], [http://www.ebi.ac.uk/pdbsum/6rwd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rwd ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6rwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rwd OCA], [http://pdbe.org/6rwd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rwd RCSB], [http://www.ebi.ac.uk/pdbsum/6rwd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rwd ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/GST26_SCHJA GST26_SCHJA]] Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.		[[http://www.uniprot.org/uniprot/GST26_SCHJA GST26_SCHJA]] Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Schistosoma japonicum glutathione transferase (Sj26GST), an enzyme central to detoxification of electrophilic compounds in the parasite, is upregulated in response to drug treatment. Therefore, Sj26GST may serve as a potential therapeutic target for the treatment of schistosomiasis. Herewith, we describe the structural basis of inhibition of Sj26GST by ellagic acid (EA). Using 1-chloro-2,4-dinitrobenzene and reduced glutathione (GSH) as Sj26GST substrates, EA was shown to inhibit Sj26GST activity by 66 % with an IC50 of 2.4 muM. Fluorescence spectroscopy showed that EA altered the polarity of the environment of intrinsic tryptophan and that EA decreased (in a dose-dependent manner) the interaction between Sj26GST and 8-Anilino-1-naphthalenesulfonate (ANS), which is a known GST H-site ligand. Thermodynamic studies indicated that the interaction between Sj26GST and EA is spontaneous (DeltaG = -29.88 +/- 0.07 kJ/mol), enthalpically-driven (DeltaH = -9.48 +/- 0.42 kJ/mol) with a favourable entropic change (DeltaS = 20.40 +/- 0.08 kJ/mol/K), and with a stoichiometry of four EA molecules bound per Sj26GST dimer. The 1.53 A-resolution Sj26GST crystal structure (P 21 21 21 space group) complexed with GSH and EA shows that EA binds primarily at the dimer interface, stabilised largely by Van der Waal forces and H-bonding. Besides, EA bound near the H-site and less than 3.5 A from the epsilon-NH2 of the gamma-glutamyl moiety of GSH, in each subunit.
		+
		+	Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies.,Akumadu BO, Pandian R, Olfsen J, Worth R, Thulo M, Mentor T, Fanucchi S, Sayed Y, Dirr HW, Achilonu I Mol Biochem Parasitol. 2020 Sep 19;240:111319. doi:, 10.1016/j.molbiopara.2020.111319. PMID:32961204<ref>PMID:32961204</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6rwd" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Glutathione S-transferase 3D structures\|Glutathione S-transferase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 06:55, 21 August 2019

OCA — Wed, 21 Aug 2019 06:55:41 GMT

←Older revision		Revision as of 06:55, 21 August 2019
Line 3:		Line 3:
	<StructureSection load='6rwd' size='340' side='right'caption='[[6rwd]], [[Resolution\|resolution]] 1.53Å' scene=''>		<StructureSection load='6rwd' size='340' side='right'caption='[[6rwd]], [[Resolution\|resolution]] 1.53Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6rwd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RWD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6rwd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Blood_fluke Blood fluke]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RWD 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=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=REF:2,3,7,8-TETRAHYDROXYCHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE'>REF</scene></td></tr>		</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=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=REF:2,3,7,8-TETRAHYDROXYCHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE'>REF</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1ua5\|1ua5]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1ua5\|1ua5]]</td></tr>
Line 13:		Line 13:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Blood fluke]]
	[[Category: Glutathione transferase]]		[[Category: Glutathione transferase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]

OCA at 06:18, 19 June 2019

OCA — Wed, 19 Jun 2019 06:18:49 GMT

←Older revision		Revision as of 06:18, 19 June 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6rwd ~~is ON HOLD~~	+	==Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution==
-		+	<StructureSection load='6rwd' size='340' side='right'caption='[[6rwd]], [[Resolution\|resolution]] 1.53Å' scene=''>
-	~~Authors~~: ~~Olfsen, J~~., ~~Pandian~~, R., ~~Sayed~~, Y., ~~Dirr~~, H.W., ~~Achilonu~~, I.A.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6rwd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RWD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RWD FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure~~ of ~~SjGST in complex with GSH~~ and ~~ellagic acid at 1~~.~~53 Angstrom resolution~~	+	</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=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=REF:2,3,7,8-TETRAHYDROXYCHROMENO[5,4,3-CDE]CHROMENE-5,10-DIONE'>REF</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1ua5\|1ua5]]</td></tr>
-	[[Category: Achilonu, I.A]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutathione_transferase Glutathione transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.18 2.5.1.18] </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=6rwd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rwd OCA], [http://pdbe.org/6rwd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rwd RCSB], [http://www.ebi.ac.uk/pdbsum/6rwd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rwd ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/GST26_SCHJA GST26_SCHJA]] Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Glutathione transferase]]
		+	[[Category: Large Structures]]
		+	[[Category: Achilonu, I A]]
		+	[[Category: Dirr, H W]]
	[[Category: Olfsen, J]]		[[Category: Olfsen, J]]
-	[[Category: Dirr, H.W]]
	[[Category: Pandian, R]]		[[Category: Pandian, R]]
	[[Category: Sayed, Y]]		[[Category: Sayed, Y]]
		+	[[Category: Ellagic acid]]
		+	[[Category: Gsh]]
		+	[[Category: Schistosoma japonicum]]
		+	[[Category: Sjgst]]
		+	[[Category: Transferase]]

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

OCA — Wed, 12 Jun 2019 04:14:14 GMT

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

←Older revision

Revision as of 04:14, 12 June 2019

OCA: New page: '''Unreleased structure''' The entry 6rwd is ON HOLD Authors: Olfsen, J., Pandian, R., Sayed, Y., Dirr, H.W., Achilonu, I.A. Description: Crystal structure of SjGST in complex with GSH...

OCA — Wed, 12 Jun 2019 04:14:13 GMT

New page: '''Unreleased structure''' The entry 6rwd is ON HOLD Authors: Olfsen, J., Pandian, R., Sayed, Y., Dirr, H.W., Achilonu, I.A. Description: Crystal structure of SjGST in complex with GSH...

New page

'''Unreleased structure'''

The entry 6rwd is ON HOLD

Authors: Olfsen, J., Pandian, R., Sayed, Y., Dirr, H.W., Achilonu, I.A.

Description: Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution
[[Category: Unreleased Structures]]
[[Category: Achilonu, I.A]]
[[Category: Olfsen, J]]
[[Category: Dirr, H.W]]
[[Category: Pandian, R]]
[[Category: Sayed, Y]]