4gui - Revision history

OCA at 15:56, 14 March 2024

2024-03-14T15:56:42Z

← Older revision		Revision as of 15:56, 14 March 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gui]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_Typhimurium_str._LT2 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GUI FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gui]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_Typhimurium_str._LT2 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GUI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QIC:(1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC+ACID'>QIC</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]] 1.78Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QIC:(1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC+ACID'>QIC</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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [https://pdbe.org/4gui PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [https://www.ebi.ac.uk/pdbsum/4gui PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gui 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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [https://pdbe.org/4gui PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [https://www.ebi.ac.uk/pdbsum/4gui PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gui ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/AROD_SALTY AROD_SALTY]		[https://www.uniprot.org/uniprot/AROD_SALTY AROD_SALTY]
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	A component of the shikimate biosynthetic pathway, dehydroquinate dehydratase (DHQD) catalyzes the dehydration of 3-dehydroquniate (DHQ) to 3-dehydroshikimate. In the type I DHQD reaction mechanism a lysine forms a Schiff base intermediate with DHQ. The Schiff base acts as an electron sink to facilitate the catalytic dehydration. To address the mechanism of Schiff base formation, we determined structures of the Salmonella enterica wild-type DHQD in complex with the substrate analogue quinate and the product analogue shikimate. In addition, we determined the structure of the K170M mutant (Lys170 being the Schiff base forming residue) in complex with quinate. Combined with nuclear magnetic resonance and isothermal titration calorimetry data that revealed altered binding of the analogue to the K170M mutant, these structures suggest a model of Schiff base formation characterized by the dynamic interplay of opposing forces acting on either side of the substrate. On the side distant from the substrate 3-carbonyl group, closure of the enzyme's beta8-alpha8 loop is proposed to guide DHQ into the proximity of the Schiff base-forming Lys170. On the 3-carbonyl side of the substrate, Lys170 sterically alters the position of DHQ's reactive ketone, aligning it at an angle conducive for nucleophilic attack. This study of a type I DHQD reveals the interplay between the enzyme and substrate required for the correct orientation of a functional group constrained within a cyclic substrate.

	Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of Schiff base formation.,Light SH, Antanasijevic A, Krishna SN, Caffrey M, Anderson WF, Lavie A Biochemistry. 2014 Feb 11;53(5):872-80. doi: 10.1021/bi4015506. Epub 2014 Jan 31. PMID:24437575<ref>PMID:24437575</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 4gui" style="background-color:#fffaf0;"></div>~~

	==See Also==		==See Also==
	*[[Dehydroquinase\|Dehydroquinase]]		*[[Dehydroquinase\|Dehydroquinase]]
	*[[Dehydroquinase 3D structures\|Dehydroquinase 3D structures]]		*[[Dehydroquinase 3D structures\|Dehydroquinase 3D structures]]
	~~== References ==~~
	~~<references/>~~
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 07:18, 26 October 2022

2022-10-26T07:18:22Z

← Older revision		Revision as of 07:18, 26 October 2022
Line 1:		Line 1:

	==1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate==		==1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate==
	<StructureSection load='4gui' size='340' side='right' caption='[[4gui]], [[Resolution\|resolution]] 1.78Å' scene=''>		<StructureSection load='4gui' size='340' side='right'caption='[[4gui]], [[Resolution\|resolution]] 1.78Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gui]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Salty Salty~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4GUI FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gui]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_Typhimurium_str._LT2 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GUI FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QIC:(1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC+ACID'>QIC</scene~~></td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QIC:(1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC+ACID'>QIC</scene></td></tr>
	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4guf\|4guf]], [[4gug\|4gug]], [[4guh\|4guh]], [[4guj\|4guj]]</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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [https://pdbe.org/4gui PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [https://www.ebi.ac.uk/pdbsum/4gui PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gui ProSAT]</span></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">aroD, STM1358 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=99287 SALTY])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [~~http~~://pdbe.org/4gui PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4gui PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4gui ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/AROD_SALTY AROD_SALTY]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 4gui" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4gui" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Dehydroquinase\|Dehydroquinase]]
			*[[Dehydroquinase 3D structures\|Dehydroquinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~3-dehydroquinate dehydratase~~]]		[[Category: Large Structures]]
	[[Category: ~~Salty~~]]		[[Category: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]]
	[[Category: Anderson~~, W F]]~~		[[Category: Anderson WF]]
	~~[[Category: Structural genomic~~]]		[[Category: Duban M-E]]
	[[Category: Duban, M E]]		[[Category: Kwon K]]
	[[Category: Kwon, K]]		[[Category: Lavie A]]
	[[Category: Lavie, A]]		[[Category: Light SH]]
	[[Category: Light~~, S H~~]]		[[Category: Minasov G]]
	[[Category: Minasov, G]]		[[Category: Shuvalova L]]
	[[Category: Shuvalova, L]]
	~~[[Category: Csgid]]~~
	~~[[Category: Lyase]]~~
	~~[[Category: National institute of allergy and infectious disease]]~~
	~~[[Category: Niaid]]~~
	~~[[Category: Tim barrel~~]]

OCA at 08:33, 15 November 2017

2017-11-15T08:33:03Z

← Older revision		Revision as of 08:33, 15 November 2017
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 4gui" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4gui" style="background-color:#fffaf0;"></div>

	~~==See Also==~~
	*[[Dehydroquinase\|Dehydroquinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 15:40, 11 August 2016

2016-08-11T15:40:06Z

← Older revision		Revision as of 15:40, 11 August 2016
Line 1:		Line 1:

	==1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate==		==1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate==
	<StructureSection load='4gui' size='340' side='right' caption='[[4gui]], [[Resolution\|resolution]] 1.78Å' scene=''>		<StructureSection load='4gui' size='340' side='right' caption='[[4gui]], [[Resolution\|resolution]] 1.78Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">aroD, STM1358 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=99287 SALTY])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">aroD, STM1358 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=99287 SALTY])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [http://www.ebi.ac.uk/pdbsum/4gui 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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [http://pdbe.org/4gui PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [http://www.ebi.ac.uk/pdbsum/4gui PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4gui ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 18:
	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 4gui" style="background-color:#fffaf0;"></div>

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

OCA at 14:17, 4 January 2015

2015-01-04T14:17:37Z

← Older revision		Revision as of 14:17, 4 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4gui]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Salty Salty]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUI FirstGlance]. <br>		<table><tr><td colspan='2'>[[4gui]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Salty Salty]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUI FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QIC:(1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC+ACID'>QIC</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QIC:(1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC+ACID'>QIC</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4guf\|4guf]], [[4gug\|4gug]], [[4guh\|4guh]], [[4guj\|4guj]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4guf\|4guf]], [[4gug\|4gug]], [[4guh\|4guh]], [[4guj\|4guj]]</td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">aroD, STM1358 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=99287 SALTY])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">aroD, STM1358 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=99287 SALTY])</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [http://www.ebi.ac.uk/pdbsum/4gui 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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [http://www.ebi.ac.uk/pdbsum/4gui PDBsum]</span></td></tr>
	<table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 15:		Line 15:
	Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of Schiff base formation.,Light SH, Antanasijevic A, Krishna SN, Caffrey M, Anderson WF, Lavie A Biochemistry. 2014 Feb 11;53(5):872-80. doi: 10.1021/bi4015506. Epub 2014 Jan 31. PMID:24437575<ref>PMID:24437575</ref>		Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of Schiff base formation.,Light SH, Antanasijevic A, Krishna SN, Caffrey M, Anderson WF, Lavie A Biochemistry. 2014 Feb 11;53(5):872-80. doi: 10.1021/bi4015506. Epub 2014 Jan 31. PMID:24437575<ref>PMID:24437575</ref>

	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>

			==See Also==
			*[[Dehydroquinase\|Dehydroquinase]]
	== References ==		== References ==
	<references/>		<references/>
Line 23:		Line 26:
	[[Category: 3-dehydroquinate dehydratase]]		[[Category: 3-dehydroquinate dehydratase]]
	[[Category: Salty]]		[[Category: Salty]]
	[[Category: Anderson, W F.]]		[[Category: Anderson, W F]]
	[[Category: ~~CSGID, Center for~~ Structural ~~Genomics of Infectious Diseases.~~]]		[[Category: Structural genomic]]
	[[Category: Duban, M E.]]		[[Category: Duban, M E]]
	[[Category: Kwon, K.]]		[[Category: Kwon, K]]
	[[Category: Lavie, A.]]		[[Category: Lavie, A]]
	[[Category: Light, S H.]]		[[Category: Light, S H]]
	[[Category: Minasov, G.]]		[[Category: Minasov, G]]
	[[Category: Shuvalova, L~~.]]~~		[[Category: Shuvalova, L]]
	~~[[Category: Center for structural genomics of infectious disease~~]]
	[[Category: Csgid]]		[[Category: Csgid]]
	[[Category: Lyase]]		[[Category: Lyase]]
	[[Category: National institute of allergy and infectious disease]]		[[Category: National institute of allergy and infectious disease]]
	[[Category: Niaid]]		[[Category: Niaid]]
	~~[[Category: Structural genomic]]~~
	[[Category: Tim barrel]]		[[Category: Tim barrel]]

OCA at 13:26, 18 May 2014

2014-05-18T13:26:12Z

← Older revision		Revision as of 13:26, 18 May 2014
Line 1:		Line 1:
	[[~~Image~~:~~4gui~~.~~jpg~~\|~~left~~\|~~200px~~]]		==1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate==
			<StructureSection load='4gui' size='340' side='right' caption='[[4gui]], [[Resolution\|resolution]] 1.78Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[4gui]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Salty Salty]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUI FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=QIC:(1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC+ACID'>QIC</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4guf\|4guf]], [[4gug\|4gug]], [[4guh\|4guh]], [[4guj\|4guj]]</td></tr>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">aroD, STM1358 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=99287 SALTY])</td></tr>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </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=4gui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gui OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4gui RCSB], [http://www.ebi.ac.uk/pdbsum/4gui PDBsum]</span></td></tr>
			<table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			A component of the shikimate biosynthetic pathway, dehydroquinate dehydratase (DHQD) catalyzes the dehydration of 3-dehydroquniate (DHQ) to 3-dehydroshikimate. In the type I DHQD reaction mechanism a lysine forms a Schiff base intermediate with DHQ. The Schiff base acts as an electron sink to facilitate the catalytic dehydration. To address the mechanism of Schiff base formation, we determined structures of the Salmonella enterica wild-type DHQD in complex with the substrate analogue quinate and the product analogue shikimate. In addition, we determined the structure of the K170M mutant (Lys170 being the Schiff base forming residue) in complex with quinate. Combined with nuclear magnetic resonance and isothermal titration calorimetry data that revealed altered binding of the analogue to the K170M mutant, these structures suggest a model of Schiff base formation characterized by the dynamic interplay of opposing forces acting on either side of the substrate. On the side distant from the substrate 3-carbonyl group, closure of the enzyme's beta8-alpha8 loop is proposed to guide DHQ into the proximity of the Schiff base-forming Lys170. On the 3-carbonyl side of the substrate, Lys170 sterically alters the position of DHQ's reactive ketone, aligning it at an angle conducive for nucleophilic attack. This study of a type I DHQD reveals the interplay between the enzyme and substrate required for the correct orientation of a functional group constrained within a cyclic substrate.

	~~{{STRUCTURE_4gui\| PDB=4gui \| SCENE= }}~~		Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of Schiff base formation.,Light SH, Antanasijevic A, Krishna SN, Caffrey M, Anderson WF, Lavie A Biochemistry. 2014 Feb 11;53(5):872-80. doi: 10.1021/bi4015506. Epub 2014 Jan 31. PMID:24437575<ref>PMID:24437575</ref>

	~~===1~~.~~78 Angstrom Crystal Structure~~ of ~~the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate===~~		From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
			</div>
			== References ==
	==~~About this Structure~~==		<references/>
	~~[[4gui]] is a 2 chain structure with sequence from [http:~~//en.wikipedia.org/wiki/Salmonella_enterica_subsp._enterica_serovar_typhimurium Salmonella enterica subsp. enterica serovar typhimurium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUI OCA].		__TOC__
			</StructureSection>
	[[Category: 3-dehydroquinate dehydratase]]		[[Category: 3-dehydroquinate dehydratase]]
	[[Category: ~~Salmonella enterica subsp. enterica serovar typhimurium~~]]		[[Category: Salty]]
	[[Category: Anderson, W F.]]		[[Category: Anderson, W F.]]
	[[Category: CSGID, Center for Structural Genomics of Infectious Diseases.]]		[[Category: CSGID, Center for Structural Genomics of Infectious Diseases.]]

OCA at 05:24, 12 September 2012

2012-09-12T05:24:39Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+[[Image:4gui.jpg|left|200px]]
-The entry 4gui is ON HOLD
+{{STRUCTURE_4gui|  PDB=4gui  |  SCENE=  }}
-Authors: Light, S.H., Minasov, G., Duban, M.-E., Shuvalova, L., Kwon, K., Lavie, A., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)
+===1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate===
-Description: 1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate

OCA: Protected "4gui" [edit=sysop:move=sysop]

2012-09-05T04:59:49Z

Protected "4gui" [edit=sysop:move=sysop]

← Older revision	Revision as of 04:59, 5 September 2012
(No difference)

OCA: New page: '''Unreleased structure''' The entry 4gui is ON HOLD Authors: Light, S.H., Minasov, G., Duban, M.-E., Shuvalova, L., Kwon, K., Lavie, A., Anderson, W.F., Center for Structural Genomics ...

2012-09-05T04:59:48Z

New page: '''Unreleased structure''' The entry 4gui is ON HOLD Authors: Light, S.H., Minasov, G., Duban, M.-E., Shuvalova, L., Kwon, K., Lavie, A., Anderson, W.F., Center for Structural Genomics ...

New page

'''Unreleased structure'''

The entry 4gui is ON HOLD

Authors: Light, S.H., Minasov, G., Duban, M.-E., Shuvalova, L., Kwon, K., Lavie, A., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)

Description: 1.78 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Quinate