1css - Revision history

OCA at 06:45, 7 February 2024

2024-02-07T06:45:31Z

← Older revision		Revision as of 06:45, 7 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1CSS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1CSS FirstGlance]. <br>
	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=FCX:ALPHA-FLUORO~~-~~CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>~~, ~~<scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</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]] 1.7Å</td></tr>
	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks~~'>~~[https:~~/~~/en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase]~~, ~~with EC number [https~~:~~//www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1]~~ </~~span~~></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [https://pdbe.org/1css PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [https://www.ebi.ac.uk/pdbsum/1css PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1css 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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [https://pdbe.org/1css PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [https://www.ebi.ac.uk/pdbsum/1css PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1css ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/CISY_CHICK CISY_CHICK]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</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=1css 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=1css ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	An alpha-fluoro acid analog and an alpha-fluoro amide analog of acetyl-CoA have been synthesized. The ternary complexes of these inhibitors with oxaloacetate and citrate synthase have been crystallized and their structures analyzed at 1.7 A resolution. The structures are similar to those reported for the corresponding non-fluorinated analogs (Usher et al., 1994), with all forming unusually short hydrogen bonds to Asp 375. The alpha-fluoro amide analog binds with an affinity 1.5-fold lower than that of a previously described amide analog lacking the alpha-fluoro group. The alpha-fluoro acid analog binds with a 50-fold decreased affinity relative to the corresponding unfluorinated analog. The binding affinities are consistent with increased strengths of hydrogen bonds to Asp 375 with closer matching of pKa values between hydrogen bond donors and acceptors. The results do not support any direct correlation between hydrogen bond strength and hydrogen bond length in enzyme-inhibitor complexes.

	alpha-Fluoro acid and alpha-fluoro amide analogs of acetyl-CoA as inhibitors of citrate synthase: effect of pKa matching on binding affinity and hydrogen bond length.,Schwartz B, Drueckhammer DG, Usher KC, Remington SJ Biochemistry. 1995 Nov 28;34(47):15459-66. PMID:7492547<ref>PMID:7492547</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 1css" style="background-color:#fffaf0;"></div>~~

	==See Also==		==See Also==
	*[[Citrate Synthase 3D structures\|Citrate Synthase 3D structures]]		*[[Citrate Synthase 3D structures\|Citrate Synthase 3D structures]]
	~~== References ==~~
	~~<references/>~~
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Gallus gallus]]		[[Category: Gallus gallus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Remington~~, S J~~]]		[[Category: Remington SJ]]
	[[Category: Usher~~, K C]]~~		[[Category: Usher KC]]
	~~[[Category: Oxo-acid-lyase~~]]

OCA at 10:39, 14 July 2021

2021-07-14T10:39:54Z

← Older revision		Revision as of 10:39, 14 July 2021
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	<StructureSection load='1css' size='340' side='right'caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='1css' size='340' side='right'caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1CSS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1CSS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [~~http~~://pdbe.org/1css PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1css PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1css 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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [https://pdbe.org/1css PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [https://www.ebi.ac.uk/pdbsum/1css PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1css ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 06:54, 10 October 2019

2019-10-10T06:54:45Z

← Older revision		Revision as of 06:54, 10 October 2019
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	==ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH==		==ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH==
	<StructureSection load='1css' size='340' side='right' caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='1css' size='340' side='right'caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>
Line 12:		Line 12:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cs/1css_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cs/1css_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 27:		Line 27:
	</div>		</div>
	<div class="pdbe-citations 1css" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1css" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Citrate Synthase 3D structures\|Citrate Synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Gallus gallus]]		[[Category: Gallus gallus]]
			[[Category: Large Structures]]
	[[Category: Remington, S J]]		[[Category: Remington, S J]]
	[[Category: Usher, K C]]		[[Category: Usher, K C]]
	[[Category: Oxo-acid-lyase]]		[[Category: Oxo-acid-lyase]]

OCA at 10:53, 8 November 2017

2017-11-08T10:53:50Z

← Older revision		Revision as of 10:53, 8 November 2017
Line 1:		Line 1:

	==ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH==		==ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH==
	<StructureSection load='1css' size='340' side='right' caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='1css' size='340' side='right' caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Chick Chick~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [http://pdbe.org/1css PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [http://www.ebi.ac.uk/pdbsum/1css 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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [http://pdbe.org/1css PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [http://www.ebi.ac.uk/pdbsum/1css PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1css ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 26:		Line 27:
	</div>		</div>
	<div class="pdbe-citations 1css" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1css" style="background-color:#fffaf0;"></div>

	~~==See Also==~~
	*[[Citrate Synthase\|Citrate Synthase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Chick~~]]		[[Category: Gallus gallus]]
	[[Category: Remington, S J]]		[[Category: Remington, S J]]
	[[Category: Usher, K C]]		[[Category: Usher, K C]]
	[[Category: Oxo-acid-lyase]]		[[Category: Oxo-acid-lyase]]

OCA at 04:35, 7 February 2016

2016-02-07T04:35:22Z

← Older revision		Revision as of 04:35, 7 February 2016
Line 15:		Line 15:
	<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=1css ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 21:53, 9 September 2015

2015-09-09T21:53:52Z

← Older revision		Revision as of 21:53, 9 September 2015
Line 2:		Line 2:
	<StructureSection load='1css' size='340' side='right' caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='1css' size='340' side='right' caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Gallus_gallus Gallus gallus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Chick Chick]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [http://www.ebi.ac.uk/pdbsum/1css 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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [http://pdbe.org/1css PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [http://www.ebi.ac.uk/pdbsum/1css PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 25:		Line 25:
	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 1css" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 32:		Line 33:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Gallus gallus~~]]		[[Category: Chick]]
	[[Category: Remington, S J]]		[[Category: Remington, S J]]
	[[Category: Usher, K C]]		[[Category: Usher, K C]]
	[[Category: Oxo-acid-lyase]]		[[Category: Oxo-acid-lyase]]

OCA at 19:26, 22 December 2014

2014-12-22T19:26:54Z

← Older revision		Revision as of 19:26, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene></td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </span></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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [http://www.ebi.ac.uk/pdbsum/1css 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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [http://www.ebi.ac.uk/pdbsum/1css 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 33:		Line 33:
	</StructureSection>		</StructureSection>
	[[Category: Gallus gallus]]		[[Category: Gallus gallus]]
	[[Category: Remington, S J.]]		[[Category: Remington, S J]]
	[[Category: Usher, K C.]]		[[Category: Usher, K C]]
	[[Category: Oxo-acid-lyase]]		[[Category: Oxo-acid-lyase]]

OCA at 09:22, 27 August 2014

2014-08-27T09:22:53Z

← Older revision		Revision as of 09:22, 27 August 2014
Line 1:		Line 1:
	[[Image:~~1css~~.~~png~~\|~~left~~\|~~200px~~]]		==ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH==
			<StructureSection load='1css' size='340' side='right' caption='[[1css]], [[Resolution\|resolution]] 1.70Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1CSS FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FCX:ALPHA-FLUORO-CARBOXYMETHYLDETHIA+COENZYME+A+COMPLEX'>FCX</scene>, <scene name='pdbligand=OAA:OXALOACETATE+ION'>OAA</scene><br>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Citrate_(Si)-synthase Citrate (Si)-synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.1 2.3.3.1] </span></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=1css FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1css OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1css RCSB], [http://www.ebi.ac.uk/pdbsum/1css 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/cs/1css_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 ==
			An alpha-fluoro acid analog and an alpha-fluoro amide analog of acetyl-CoA have been synthesized. The ternary complexes of these inhibitors with oxaloacetate and citrate synthase have been crystallized and their structures analyzed at 1.7 A resolution. The structures are similar to those reported for the corresponding non-fluorinated analogs (Usher et al., 1994), with all forming unusually short hydrogen bonds to Asp 375. The alpha-fluoro amide analog binds with an affinity 1.5-fold lower than that of a previously described amide analog lacking the alpha-fluoro group. The alpha-fluoro acid analog binds with a 50-fold decreased affinity relative to the corresponding unfluorinated analog. The binding affinities are consistent with increased strengths of hydrogen bonds to Asp 375 with closer matching of pKa values between hydrogen bond donors and acceptors. The results do not support any direct correlation between hydrogen bond strength and hydrogen bond length in enzyme-inhibitor complexes.

	~~{{STRUCTURE_1css\| PDB=1css \| SCENE= }}~~		alpha-Fluoro acid and alpha-fluoro amide analogs of acetyl-CoA as inhibitors of citrate synthase: effect of pKa matching on binding affinity and hydrogen bond length.,Schwartz B, Drueckhammer DG, Usher KC, Remington SJ Biochemistry. 1995 Nov 28;34(47):15459-66. PMID:7492547<ref>PMID:7492547</ref>

	~~===ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_7492547}}~~

	~~==About this Structure==~~
	~~[[1css]] is~~ a ~~1 chain structure with sequence from [http://en.wikipedia~~.~~org/wiki/Gallus_gallus Gallus gallus]~~. ~~Full crystallographic information is available from [http://oca~~.~~weizmann.ac.il/oca-bin~~/~~ocashort?id=1CSS OCA].~~

	==See Also==		==See Also==
	*[[Citrate Synthase\|Citrate Synthase]]		*[[Citrate Synthase\|Citrate Synthase]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:007492547<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Gallus gallus]]		[[Category: Gallus gallus]]
	[[Category: Remington, S J.]]		[[Category: Remington, S J.]]
	[[Category: Usher, K C.]]		[[Category: Usher, K C.]]
	[[Category: Oxo-acid-lyase]]		[[Category: Oxo-acid-lyase]]

OCA at 05:35, 20 October 2012

2012-10-20T05:35:45Z

← Older revision		Revision as of 05:35, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
	[[1css]] is a 1 chain structure ~~of [[Citrate Synthase]]~~ with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA].		[[1css]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CSS OCA].

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

OCA: Protected "1css" [edit=sysop:move=sysop]

2012-07-25T10:34:44Z

Protected "1css" [edit=sysop:move=sysop]

← Older revision	Revision as of 10:34, 25 July 2012
(No difference)