3x1j - Revision history

OCA at 08:48, 20 March 2024

OCA — Wed, 20 Mar 2024 08:48:11 GMT

←Older revision		Revision as of 08:48, 20 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3x1j]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_2192 Pseudomonas aeruginosa 2192]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X1J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3X1J FirstGlance]. <br>		<table><tr><td colspan='2'>[[3x1j]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_2192 Pseudomonas aeruginosa 2192]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X1J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3X1J FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 2.334Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3x1k\|3x1k]], [[3x1m\|3x1m]], [[4ruk\|4ruk]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">coaD, PA0363, PA2G_04277 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=350703 Pseudomonas aeruginosa 2192])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Pantetheine-phosphate_adenylyltransferase Pantetheine-phosphate adenylyltransferase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.3 2.7.7.3] </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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [https://pdbe.org/3x1j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [https://www.ebi.ac.uk/pdbsum/3x1j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3x1j 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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [https://pdbe.org/3x1j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [https://www.ebi.ac.uk/pdbsum/3x1j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3x1j ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/A0A0X1KGP2_PSEAI A0A0X1KGP2_PSEAI] Reversibly transfers an adenylyl group from ATP to 4'-phosphopantetheine, yielding dephospho-CoA (dPCoA) and pyrophosphate.[HAMAP-Rule:MF_00151]
-	~~BACKGROUND~~: ~~Phosphopantetheine adenylyltransferase (PPAT) is a rate limiting enzyme which catalyzes the conversion of ATP and pantetheine to dephosphocoenzyme and pyrophosphate~~. ~~The enzyme is allosteric in nature and regulated by Coenzyme A (CoA) through feedback inhibition~~. ~~So far, several structures have been solved~~ to ~~decipher the catalytic mechanism of this enzyme. METHODS: To address catalytic and inhibitory mechanisms of PPAT, structural insights from single crystal X~~-~~ray diffraction method were primarily used~~, followed by biophysical and biochemical analysis. RESULTS: We have solved the structures of PPAT from Pseudomonas aeruginosa with its substrate analogue AMP-PNP and inhibitor CoA. For the first time, a co-crystal structure of PPAT with Acetyl-CoA (~~AcCoA~~) ~~was determined. Enzymatic analysis was performed to decipher the catalytic, allosteric~~ and inhibitory mechanisms involved in regulation of PPAT. Binding affinities of PPAT with its substrates and inhibitors were determined by SPR. CONCLUSION: Previous studies from Escherichia coli and Arabidopsis indicated the inhibitory activity of AcCoA. PPAT-AcCoA structure along with some biochemical methods established AcCoA as an inhibitor to PPAT and illustrated its inhibitory mechanism. Transition from catalytic to allosteric state involves formation of ternary complex. We have studied the structural features of the ternary complex of PPAT along with its product pyrophosphate ~~and inhibitor CoA and validated it with other biophysical and biochemical methods~~. Extensive analysis of all these 3D structures indicates that changes in side chains R90 and D94 are responsible for transition between catalytic and allosteric inhibitory states. GENERAL SIGNIFICANCE: These enzymatic studies provide new insights into the allosteric mechanism of PPAT.	+
-		+
-	Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa.,Chatterjee R, Mondal A, Basu A, Datta S Biochim Biophys Acta. 2016 Apr 13;1864(7):773-~~786. doi~~:~~, 10.1016/j.bbapap.2016.03.018. PMID:27041211<ref>PMID:27041211</ref>~~	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3x1j" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Pantetheine-phosphate adenylyltransferase]]
	[[Category: Pseudomonas aeruginosa 2192]]		[[Category: Pseudomonas aeruginosa 2192]]
-	[[Category: Chatterjee, R]]	+	[[Category: Chatterjee R]]
-	[[Category: Datta, S]]	+	[[Category: Datta S]]
-	~~[[Category: Rossmann fold]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 05:38, 10 August 2022

OCA — Wed, 10 Aug 2022 05:38:35 GMT

←Older revision		Revision as of 05:38, 10 August 2022
Line 1:		Line 1:

	==Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa==		==Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa==
-	<StructureSection load='3x1j' size='340' side='right' caption='[[3x1j]], [[Resolution\|resolution]] 2.33Å' scene=''>	+	<StructureSection load='3x1j' size='340' side='right'caption='[[3x1j]], [[Resolution\|resolution]] 2.33Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3x1j]] is a 3 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_2192 Pseudomonas aeruginosa 2192]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X1J OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3X1J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3x1j]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_2192 Pseudomonas aeruginosa 2192]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X1J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3X1J FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3x1k\|3x1k]], [[3x1m\|3x1m]], [[4ruk\|4ruk]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3x1k\|3x1k]], [[3x1m\|3x1m]], [[4ruk\|4ruk]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">coaD, PA0363, PA2G_04277 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=350703 Pseudomonas aeruginosa 2192])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">coaD, PA0363, PA2G_04277 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=350703 Pseudomonas aeruginosa 2192])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Pantetheine-phosphate_adenylyltransferase Pantetheine-phosphate adenylyltransferase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.3 2.7.7.3] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Pantetheine-phosphate_adenylyltransferase Pantetheine-phosphate adenylyltransferase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.3 2.7.7.3] </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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [~~http~~://pdbe.org/3x1j PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3x1j PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3x1j 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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [https://pdbe.org/3x1j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [https://www.ebi.ac.uk/pdbsum/3x1j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3x1j ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Pantetheine-phosphate adenylyltransferase]]		[[Category: Pantetheine-phosphate adenylyltransferase]]
	[[Category: Pseudomonas aeruginosa 2192]]		[[Category: Pseudomonas aeruginosa 2192]]

OCA at 12:54, 16 November 2017

OCA — Thu, 16 Nov 2017 12:54:07 GMT

←Older revision		Revision as of 12:54, 16 November 2017
Line 3:		Line 3:
	<StructureSection load='3x1j' size='340' side='right' caption='[[3x1j]], [[Resolution\|resolution]] 2.33Å' scene=''>		<StructureSection load='3x1j' size='340' side='right' caption='[[3x1j]], [[Resolution\|resolution]] 2.33Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3x1j]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X1J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3X1J FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3x1j]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_2192 Pseudomonas aeruginosa 2192]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X1J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3X1J FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3x1k\|3x1k]], [[3x1m\|3x1m]], [[4ruk\|4ruk]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3x1k\|3x1k]], [[3x1m\|3x1m]], [[4ruk\|4ruk]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">coaD, PA0363, PA2G_04277 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=350703 Pseudomonas aeruginosa 2192])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantetheine-phosphate_adenylyltransferase Pantetheine-phosphate adenylyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.3 2.7.7.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantetheine-phosphate_adenylyltransferase Pantetheine-phosphate adenylyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.3 2.7.7.3] </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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [http://pdbe.org/3x1j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [http://www.ebi.ac.uk/pdbsum/3x1j 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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [http://pdbe.org/3x1j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [http://www.ebi.ac.uk/pdbsum/3x1j PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3x1j ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 23:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Pantetheine-phosphate adenylyltransferase]]		[[Category: Pantetheine-phosphate adenylyltransferase]]
		+	[[Category: Pseudomonas aeruginosa 2192]]
	[[Category: Chatterjee, R]]		[[Category: Chatterjee, R]]
	[[Category: Datta, S]]		[[Category: Datta, S]]
	[[Category: Rossmann fold]]		[[Category: Rossmann fold]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 18:41, 10 May 2016

OCA — Tue, 10 May 2016 18:41:05 GMT

←Older revision		Revision as of 18:41, 10 May 2016
Line 1:		Line 1:
		+
	==Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa==		==Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa==
	<StructureSection load='3x1j' size='340' side='right' caption='[[3x1j]], [[Resolution\|resolution]] 2.33Å' scene=''>		<StructureSection load='3x1j' size='340' side='right' caption='[[3x1j]], [[Resolution\|resolution]] 2.33Å' scene=''>
Line 8:		Line 9:
	<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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [http://pdbe.org/3x1j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [http://www.ebi.ac.uk/pdbsum/3x1j 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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [http://pdbe.org/3x1j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [http://www.ebi.ac.uk/pdbsum/3x1j PDBsum]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	BACKGROUND: Phosphopantetheine adenylyltransferase (PPAT) is a rate limiting enzyme which catalyzes the conversion of ATP and pantetheine to dephosphocoenzyme and pyrophosphate. The enzyme is allosteric in nature and regulated by Coenzyme A (CoA) through feedback inhibition. So far, several structures have been solved to decipher the catalytic mechanism of this enzyme. METHODS: To address catalytic and inhibitory mechanisms of PPAT, structural insights from single crystal X-ray diffraction method were primarily used, followed by biophysical and biochemical analysis. RESULTS: We have solved the structures of PPAT from Pseudomonas aeruginosa with its substrate analogue AMP-PNP and inhibitor CoA. For the first time, a co-crystal structure of PPAT with Acetyl-CoA (AcCoA) was determined. Enzymatic analysis was performed to decipher the catalytic, allosteric and inhibitory mechanisms involved in regulation of PPAT. Binding affinities of PPAT with its substrates and inhibitors were determined by SPR. CONCLUSION: Previous studies from Escherichia coli and Arabidopsis indicated the inhibitory activity of AcCoA. PPAT-AcCoA structure along with some biochemical methods established AcCoA as an inhibitor to PPAT and illustrated its inhibitory mechanism. Transition from catalytic to allosteric state involves formation of ternary complex. We have studied the structural features of the ternary complex of PPAT along with its product pyrophosphate and inhibitor CoA and validated it with other biophysical and biochemical methods. Extensive analysis of all these 3D structures indicates that changes in side chains R90 and D94 are responsible for transition between catalytic and allosteric inhibitory states. GENERAL SIGNIFICANCE: These enzymatic studies provide new insights into the allosteric mechanism of PPAT.
		+
		+	Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa.,Chatterjee R, Mondal A, Basu A, Datta S Biochim Biophys Acta. 2016 Apr 13;1864(7):773-786. doi:, 10.1016/j.bbapap.2016.03.018. PMID:27041211<ref>PMID:27041211</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 3x1j" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 04:40, 1 December 2015

OCA — Tue, 01 Dec 2015 04:40:50 GMT

←Older revision		Revision as of 04:40, 1 December 2015
Line 1:		Line 1:
-	'''~~Unreleased structure~~'''	+	==Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa==
-		+	<StructureSection load='3x1j' size='340' side='right' caption='[[3x1j]], [[Resolution\|resolution]] 2.33Å' scene=''>
-	~~The entry~~ 3x1j is ~~ON HOLD until Paper Publication~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[3x1j]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3X1J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3X1J FirstGlance]. <br>
-	~~Authors~~: ~~Chatterjee~~, R., ~~Datta~~, S.	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3x1k\|3x1k]], [[3x1m\|3x1m]], [[4ruk\|4ruk]]</td></tr>
-	~~Description~~: ~~Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT~~/~~CoaD)~~ with ~~AcCoA from Pseudomonas aeruginosa~~	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantetheine-phosphate_adenylyltransferase Pantetheine-phosphate adenylyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.3 2.7.7.3] </span></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=3x1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3x1j OCA], [http://pdbe.org/3x1j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3x1j RCSB], [http://www.ebi.ac.uk/pdbsum/3x1j PDBsum]</span></td></tr>
-	[[Category: ~~Datta, S~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Pantetheine-phosphate adenylyltransferase]]
	[[Category: Chatterjee, R]]		[[Category: Chatterjee, R]]
		+	[[Category: Datta, S]]
		+	[[Category: Rossmann fold]]
		+	[[Category: Transferase]]

OCA at 13:14, 24 December 2014

OCA — Wed, 24 Dec 2014 13:14:22 GMT

←Older revision		Revision as of 13:14, 24 December 2014
Line 6:		Line 6:

	Description: Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa		Description: Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa
		+	[[Category: Unreleased Structures]]
		+	[[Category: Datta, S]]
		+	[[Category: Chatterjee, R]]

OCA at 09:12, 24 December 2014

OCA — Wed, 24 Dec 2014 09:12:59 GMT

←Older revision		Revision as of 09:12, 24 December 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3x1j is ON HOLD	+	The entry 3x1j is ON HOLD until Paper Publication

	Authors: Chatterjee, R., Datta, S.		Authors: Chatterjee, R., Datta, S.

	Description: Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa		Description: Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa

OCA: Protected "3x1j" [edit=sysop:move=sysop]

OCA — Wed, 26 Nov 2014 06:24:06 GMT

Protected "3x1j" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:24, 26 November 2014

OCA: New page: '''Unreleased structure''' The entry 3x1j is ON HOLD Authors: Chatterjee, R., Datta, S. Description: Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA ...

OCA — Wed, 26 Nov 2014 06:24:05 GMT

New page: '''Unreleased structure''' The entry 3x1j is ON HOLD Authors: Chatterjee, R., Datta, S. Description: Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA ...

New page

'''Unreleased structure'''

The entry 3x1j is ON HOLD

Authors: Chatterjee, R., Datta, S.

Description: Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa