6bol - Revision history

OCA at 14:23, 13 March 2024

2024-03-13T14:23:16Z

←Older revision		Revision as of 14:23, 13 March 2024
Line 3:		Line 3:
	<StructureSection load='6bol' size='340' side='right'caption='[[6bol]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='6bol' size='340' side='right'caption='[[6bol]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6bol]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Aspfc Aspfc~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BOL OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6BOL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6bol]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_fumigatus_A1163 Aspergillus fumigatus A1163]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BOL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6BOL 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=OAA:OXALOACETATE+ION'>OAA</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]] 2.2Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mcsA, AFUB_094700 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=451804 ASPFC])~~</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=OAA:OXALOACETATE+ION'>OAA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></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=6bol FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bol OCA], [~~http~~://pdbe.org/6bol PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6bol RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6bol PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6bol 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=6bol FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bol OCA], [https://pdbe.org/6bol PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6bol RCSB], [https://www.ebi.ac.uk/pdbsum/6bol PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6bol ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PRPC_ASPFC PRPC_ASPFC]] Component of the methylcitrate cycle that catalyzes the synthesis of (2S,3S)-2-methylcitrate from propionyl-CoA and oxaloacetate. Plays an important role in detoxification of propionyl-CoA, an inhibitor of both primary and secondary metabolism. Has also citrate synthase activity using as substrates acetyl-CoA and oxaloacetate. Plays a key role in the estabishment of invasive pulmonary aspergillosis.<ref>PMID:17973657</ref>	+	[https://www.uniprot.org/uniprot/PRPC_ASPFC PRPC_ASPFC] Component of the methylcitrate cycle that catalyzes the synthesis of (2S,3S)-2-methylcitrate from propionyl-CoA and oxaloacetate. Plays an important role in detoxification of propionyl-CoA, an inhibitor of both primary and secondary metabolism. Has also citrate synthase activity using as substrates acetyl-CoA and oxaloacetate. Plays a key role in the estabishment of invasive pulmonary aspergillosis.<ref>PMID:17973657</ref>
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Aspergillus fumigatus is a ubiquitous fungus that is not only a problem in agriculture, but also in healthcare. Aspergillus fumigatus drug resistance is becoming more prominent which is mainly attributed to the widespread use of fungicides in agriculture. The fungi-specific 2-methylcitrate cycle is responsible for detoxifying propionyl-CoA, a toxic metabolite produced as the fungus breaks down proteins and amino acids. The enzyme responsible for this detoxification is 2-methylcitrate synthase (mcsA) and is a potential candidate for the design of new anti-fungals. However, mcsA is very similar in structure to human citrate synthase (hCS) and catalyzes the same reaction. Therefore, both enzymes were studied in parallel to provide foundations for design of mcsA-specific inhibitors. The first crystal structures of citrate synthase from humans and 2-methylcitrate synthase from A. fumigatus are reported. The determined structures capture various conformational states of the enzymes and several inhibitors were identified and characterized. Despite a significant homology, mcsA and hCS display pronounced differences in substrate specificity and cooperativity. Considering that the active sites of the enzymes are almost identical, the differences in reactions catalyzed by enzymes are caused by residues that are in the vicinity of the active site and influence conformational changes of the enzymes.	+
-		+
-	Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.,Schlachter CR, Klapper V, Radford T, Chruszcz M Biol Chem. 2019 Nov 26;400(12):1567-1581. doi: 10.1515/hsz-2019-0106. PMID:31141475<ref>PMID:31141475</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 6bol" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
Line 27:		Line 18:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Aspfc~~]]	+	[[Category: Aspergillus fumigatus A1163]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chruszcz, M]]	+	[[Category: Chruszcz M]]
-	[[Category: Schlachter, C]]	+	[[Category: Schlachter C]]
-	~~[[Category: 2-methylcitrate synthase]]~~	+
-	~~[[Category: Citrate synthase]]~~	+
-	~~[[Category: Mcsa]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 10:31, 17 June 2020

2020-06-17T10:31:19Z

←Older revision		Revision as of 10:31, 17 June 2020
Line 1:		Line 1:

	==Crystal structure of mutant 2-methylcitrate synthase mcsAG419A from Aspergillus fumigatus.==		==Crystal structure of mutant 2-methylcitrate synthase mcsAG419A from Aspergillus fumigatus.==
-	<StructureSection load='6bol' size='340' side='right' caption='[[6bol]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='6bol' size='340' side='right'caption='[[6bol]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6bol]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BOL OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6BOL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6bol]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BOL OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6BOL 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=OAA:OXALOACETATE+ION'>OAA</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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</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">mcsA, AFUB_094700 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=451804 ASPFC])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mcsA, AFUB_094700 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=451804 ASPFC])</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=6bol FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bol OCA], [http://pdbe.org/6bol PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6bol RCSB], [http://www.ebi.ac.uk/pdbsum/6bol PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6bol 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=6bol FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bol OCA], [http://pdbe.org/6bol PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6bol RCSB], [http://www.ebi.ac.uk/pdbsum/6bol PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6bol ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/PRPC_ASPFC PRPC_ASPFC]] Component of the methylcitrate cycle that catalyzes the synthesis of (2S,3S)-2-methylcitrate from propionyl-CoA and oxaloacetate. Plays an important role in detoxification of propionyl-CoA, an inhibitor of both primary and secondary metabolism. Has also citrate synthase activity using as substrates acetyl-CoA and oxaloacetate. Plays a key role in the estabishment of invasive pulmonary aspergillosis.<ref>PMID:17973657</ref>		[[http://www.uniprot.org/uniprot/PRPC_ASPFC PRPC_ASPFC]] Component of the methylcitrate cycle that catalyzes the synthesis of (2S,3S)-2-methylcitrate from propionyl-CoA and oxaloacetate. Plays an important role in detoxification of propionyl-CoA, an inhibitor of both primary and secondary metabolism. Has also citrate synthase activity using as substrates acetyl-CoA and oxaloacetate. Plays a key role in the estabishment of invasive pulmonary aspergillosis.<ref>PMID:17973657</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Aspergillus fumigatus is a ubiquitous fungus that is not only a problem in agriculture, but also in healthcare. Aspergillus fumigatus drug resistance is becoming more prominent which is mainly attributed to the widespread use of fungicides in agriculture. The fungi-specific 2-methylcitrate cycle is responsible for detoxifying propionyl-CoA, a toxic metabolite produced as the fungus breaks down proteins and amino acids. The enzyme responsible for this detoxification is 2-methylcitrate synthase (mcsA) and is a potential candidate for the design of new anti-fungals. However, mcsA is very similar in structure to human citrate synthase (hCS) and catalyzes the same reaction. Therefore, both enzymes were studied in parallel to provide foundations for design of mcsA-specific inhibitors. The first crystal structures of citrate synthase from humans and 2-methylcitrate synthase from A. fumigatus are reported. The determined structures capture various conformational states of the enzymes and several inhibitors were identified and characterized. Despite a significant homology, mcsA and hCS display pronounced differences in substrate specificity and cooperativity. Considering that the active sites of the enzymes are almost identical, the differences in reactions catalyzed by enzymes are caused by residues that are in the vicinity of the active site and influence conformational changes of the enzymes.
		+
		+	Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.,Schlachter CR, Klapper V, Radford T, Chruszcz M Biol Chem. 2019 Nov 26;400(12):1567-1581. doi: 10.1515/hsz-2019-0106. PMID:31141475<ref>PMID:31141475</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6bol" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Citrate Synthase 3D structures\|Citrate Synthase 3D structures]]
		+	*[[Methylcitrate synthase\|Methylcitrate synthase]]
	== References ==		== References ==
	<references/>		<references/>
Line 15:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Aspfc]]		[[Category: Aspfc]]
		+	[[Category: Large Structures]]
	[[Category: Chruszcz, M]]		[[Category: Chruszcz, M]]
	[[Category: Schlachter, C]]		[[Category: Schlachter, C]]

OCA at 20:24, 2 December 2018

2018-12-02T20:24:14Z

←Older revision		Revision as of 20:24, 2 December 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6bol is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of mutant 2-methylcitrate synthase mcsAG419A from Aspergillus fumigatus.==
-		+	<StructureSection load='6bol' size='340' side='right' caption='[[6bol]], [[Resolution\|resolution]] 2.20Å' scene=''>
-	~~Authors~~: ~~Schlachter~~, C., ~~Chruszcz~~, M.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6bol]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfc Aspfc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BOL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6BOL FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure~~ of ~~mutant~~ 2-methylcitrate ~~synthase mcsAG419A~~ from ~~Aspergillus fumigatus~~.	+	</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=OAA:OXALOACETATE+ION'>OAA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mcsA, AFUB_094700 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=451804 ASPFC])</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=6bol FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bol OCA], [http://pdbe.org/6bol PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6bol RCSB], [http://www.ebi.ac.uk/pdbsum/6bol PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6bol ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PRPC_ASPFC PRPC_ASPFC]] Component of the methylcitrate cycle that catalyzes the synthesis of (2S,3S)-2-methylcitrate from propionyl-CoA and oxaloacetate. Plays an important role in detoxification of propionyl-CoA, an inhibitor of both primary and secondary metabolism. Has also citrate synthase activity using as substrates acetyl-CoA and oxaloacetate. Plays a key role in the estabishment of invasive pulmonary aspergillosis.<ref>PMID:17973657</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Aspfc]]
	[[Category: Chruszcz, M]]		[[Category: Chruszcz, M]]
	[[Category: Schlachter, C]]		[[Category: Schlachter, C]]
		+	[[Category: 2-methylcitrate synthase]]
		+	[[Category: Citrate synthase]]
		+	[[Category: Mcsa]]
		+	[[Category: Transferase]]

OCA at 03:41, 8 March 2018

2018-03-08T03:41:32Z

←Older revision		Revision as of 03:41, 8 March 2018
Line 5:		Line 5:
	Authors: Schlachter, C., Chruszcz, M.		Authors: Schlachter, C., Chruszcz, M.

-	Description: Crystal structure of ~~mtuant~~ 2-methylcitrate synthase mcsAG419A from Aspergillus fumigatus.	+	Description: Crystal structure of mutant 2-methylcitrate synthase mcsAG419A from Aspergillus fumigatus.
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Chruszcz, M]]		[[Category: Chruszcz, M]]
	[[Category: Schlachter, C]]		[[Category: Schlachter, C]]

OCA at 05:51, 13 December 2017

2017-12-13T05:51:27Z

←Older revision		Revision as of 05:51, 13 December 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Schlachter, C., Chruszcz, M.		Authors: Schlachter, C., Chruszcz, M.

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

2017-11-29T05:07:30Z

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

←Older revision

Revision as of 05:07, 29 November 2017

OCA: New page: '''Unreleased structure''' The entry 6bol is ON HOLD Authors: Schlachter, C., Chruszcz, M. Description: Crystal structure of mtuant 2-methylcitrate synthase mcsAG419A from Aspergillus ...

2017-11-29T05:07:29Z

New page: '''Unreleased structure''' The entry 6bol is ON HOLD Authors: Schlachter, C., Chruszcz, M. Description: Crystal structure of mtuant 2-methylcitrate synthase mcsAG419A from Aspergillus ...

New page

'''Unreleased structure'''

The entry 6bol is ON HOLD

Authors: Schlachter, C., Chruszcz, M.

Description: Crystal structure of mtuant 2-methylcitrate synthase mcsAG419A from Aspergillus fumigatus.
[[Category: Unreleased Structures]]
[[Category: Chruszcz, M]]
[[Category: Schlachter, C]]