3hgr - Revision history

OCA at 09:59, 21 February 2024

OCA — Wed, 21 Feb 2024 09:59:51 GMT

←Older revision		Revision as of 09:59, 21 February 2024
Line 3:		Line 3:
	<StructureSection load='3hgr' size='340' side='right'caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='3hgr' size='340' side='right'caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3hgr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Lycopersicon_esculentum Lycopersicon esculentum~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3HGR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3hgr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Solanum_lycopersicum Solanum lycopersicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3HGR FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>~~, ~~<scene name='pdbligand=PHB:P-HYDROXYBENZOIC+ACID'>PHB</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]] 2.3Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3hgs\|3hgs]], [[3hgo\|3hgo]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PHB:P-HYDROXYBENZOIC+ACID'>PHB</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>OPR1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~4081 Lycopersicon esculentum])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[https://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42]~~ </~~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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [https://pdbe.org/3hgr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [https://www.ebi.ac.uk/pdbsum/3hgr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3hgr 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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [https://pdbe.org/3hgr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [https://www.ebi.ac.uk/pdbsum/3hgr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3hgr ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/OPR1_SOLLC OPR1_SOLLC]] Specifically cleaves olefinic bonds in alpha,beta-unsaturated carbonyls and may be involved in detoxification or modification of these reactive compounds. May be involved in the biosynthesis or metabolism of oxylipin signaling molecules. In vitro, reduces 9R,13R-12-oxophyodienoic acid (9R,13R-OPDA) to 9R,13R-OPC-8:0, but not 9S,13S-OPDA, the natural precursor of jasmonic acid. Also reduces N-ethylmaleimide and maleic acid.<ref>PMID:12445129</ref>	+	[https://www.uniprot.org/uniprot/OPR1_SOLLC OPR1_SOLLC] Specifically cleaves olefinic bonds in alpha,beta-unsaturated carbonyls and may be involved in detoxification or modification of these reactive compounds. May be involved in the biosynthesis or metabolism of oxylipin signaling molecules. In vitro, reduces 9R,13R-12-oxophyodienoic acid (9R,13R-OPDA) to 9R,13R-OPC-8:0, but not 9S,13S-OPDA, the natural precursor of jasmonic acid. Also reduces N-ethylmaleimide and maleic acid.<ref>PMID:12445129</ref>
	== 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=3hgr 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=3hgr ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	12-Oxophytodienoate reductase 3 (OPR3) is a FMN-dependent oxidoreductase that catalyzes the reduction of the cyclopentenone (9S,13S)-12-oxophytodienoate [(9S,13S)-OPDA] to the corresponding cyclopentanone in the biosynthesis of the plant hormone jasmonic acid. In vitro, however, OPR3 reduces the jasmonic acid precursor (9S,13S)-OPDA as well as the enantiomeric (9R,13R)-OPDA, while its isozyme OPR1 is highly selective, accepting only (9R,13R)-OPDA as a substrate. To uncover the molecular determinants of this remarkable enantioselectivity, we determined the crystal structures of OPR1 and OPR3 in complex with the ligand p-hydroxybenzaldehyde. Structural comparison with the OPR1:(9R,13R)-OPDA complex and further biochemical and mutational analyses revealed that two active-site residues, Tyr78 and Tyr246 in OPR1 and Phe74 and His244 in OPR3, are critical for substrate filtering. The relatively smaller OPR3 residues allow formation of a wider substrate binding pocket that is less enantio-restrictive. Substitution of Phe74 and His244 by the corresponding OPR1 tyrosines resulted in an OPR3 mutant showing enhanced, OPR1-like substrate selectivity. Moreover, sequence analysis of the OPR family supports the filtering function of Tyr78 and Tyr246 and allows predictions with respect to substrate specificity and biological function of thus far uncharacterized OPR isozymes. The discovered structural features may also be relevant for other stereoselective proteins and guide the rational design of stereospecific enzymes for biotechnological applications.
-
-	Structural basis of substrate specificity of plant 12-oxophytodienoate reductases.,Breithaupt C, Kurzbauer R, Schaller F, Stintzi A, Schaller A, Huber R, Macheroux P, Clausen T J Mol Biol. 2009 Oct 9;392(5):1266-77. Epub 2009 Aug 4. PMID:19660473<ref>PMID:19660473</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3hgr" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: 12-oxophytodienoate reductase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Lycopersicon esculentum~~]]	+	[[Category: Solanum lycopersicum]]
-	[[Category: Breithaupt, C]]	+	[[Category: Breithaupt C]]
-	[[Category: Clausen, T]]	+	[[Category: Clausen T]]
-	~~[[Category: Alpha beta barrel]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Cytoplasm]]~~	+
-	~~[[Category: Enantioselectivity]]~~	+
-	~~[[Category: Fatty acid biosynthesis]]~~	+
-	~~[[Category: Flavoprotein]]~~	+
-	~~[[Category: Fmn]]~~	+
-	~~[[Category: Lipid synthesis]]~~	+
-	~~[[Category: Nadp]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Oxylipin biosynthesis]]~~	+
-	~~[[Category: Reductase~~]]	+

OCA at 11:59, 13 October 2021

OCA — Wed, 13 Oct 2021 11:59:12 GMT

←Older revision		Revision as of 11:59, 13 October 2021
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	==Crystal structure of tomato OPR1 in complex with pHB==		==Crystal structure of tomato OPR1 in complex with pHB==
-	<StructureSection load='3hgr' size='340' side='right' caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>	+	<StructureSection load='3hgr' size='340' side='right'caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3hgr]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Lycopersicon_esculentum Lycopersicon esculentum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3HGR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3hgr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lycopersicon_esculentum Lycopersicon esculentum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3HGR FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PHB:P-HYDROXYBENZOIC+ACID'>PHB</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PHB:P-HYDROXYBENZOIC+ACID'>PHB</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3hgs\|3hgs]], [[3hgo\|3hgo]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3hgs\|3hgs]], [[3hgo\|3hgo]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">OPR1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4081 Lycopersicon esculentum])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">OPR1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4081 Lycopersicon esculentum])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42] </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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [~~http~~://pdbe.org/3hgr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3hgr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3hgr 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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [https://pdbe.org/3hgr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [https://www.ebi.ac.uk/pdbsum/3hgr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3hgr ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/OPR1_SOLLC OPR1_SOLLC]] Specifically cleaves olefinic bonds in alpha,beta-unsaturated carbonyls and may be involved in detoxification or modification of these reactive compounds. May be involved in the biosynthesis or metabolism of oxylipin signaling molecules. In vitro, reduces 9R,13R-12-oxophyodienoic acid (9R,13R-OPDA) to 9R,13R-OPC-8:0, but not 9S,13S-OPDA, the natural precursor of jasmonic acid. Also reduces N-ethylmaleimide and maleic acid.<ref>PMID:12445129</ref>	+	[[https://www.uniprot.org/uniprot/OPR1_SOLLC OPR1_SOLLC]] Specifically cleaves olefinic bonds in alpha,beta-unsaturated carbonyls and may be involved in detoxification or modification of these reactive compounds. May be involved in the biosynthesis or metabolism of oxylipin signaling molecules. In vitro, reduces 9R,13R-12-oxophyodienoic acid (9R,13R-OPDA) to 9R,13R-OPC-8:0, but not 9S,13S-OPDA, the natural precursor of jasmonic acid. Also reduces N-ethylmaleimide and maleic acid.<ref>PMID:12445129</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/hg/3hgr_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/hg/3hgr_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>
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	==See Also==		==See Also==
-	*[[12-oxophytodienoate reductase\|12-oxophytodienoate reductase]]	+	*[[12-oxophytodienoate reductase 3D structures\|12-oxophytodienoate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: 12-oxophytodienoate reductase]]		[[Category: 12-oxophytodienoate reductase]]
		+	[[Category: Large Structures]]
	[[Category: Lycopersicon esculentum]]		[[Category: Lycopersicon esculentum]]
	[[Category: Breithaupt, C]]		[[Category: Breithaupt, C]]

OCA at 07:33, 1 November 2017

OCA — Wed, 01 Nov 2017 07:33:22 GMT

←Older revision		Revision as of 07:33, 1 November 2017
Line 1:		Line 1:
		+
	==Crystal structure of tomato OPR1 in complex with pHB==		==Crystal structure of tomato OPR1 in complex with pHB==
	<StructureSection load='3hgr' size='340' side='right' caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='3hgr' size='340' side='right' caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">OPR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4081 Lycopersicon esculentum])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">OPR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4081 Lycopersicon esculentum])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42] </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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [http://pdbe.org/3hgr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [http://www.ebi.ac.uk/pdbsum/3hgr 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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [http://pdbe.org/3hgr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [http://www.ebi.ac.uk/pdbsum/3hgr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3hgr ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 43:		Line 44:
	[[Category: Alpha beta barrel]]		[[Category: Alpha beta barrel]]
	[[Category: Complex]]		[[Category: Complex]]
		+	[[Category: Cytoplasm]]
	[[Category: Enantioselectivity]]		[[Category: Enantioselectivity]]
	[[Category: Fatty acid biosynthesis]]		[[Category: Fatty acid biosynthesis]]

OCA at 05:19, 10 February 2016

OCA — Wed, 10 Feb 2016 05:19:39 GMT

←Older revision		Revision as of 05:19, 10 February 2016
Line 2:		Line 2:
	<StructureSection load='3hgr' size='340' side='right' caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='3hgr' size='340' side='right' caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3hgr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Solanum_lycopersicum Solanum lycopersicum~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3HGR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3hgr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lycopersicon_esculentum Lycopersicon esculentum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3HGR FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PHB:P-HYDROXYBENZOIC+ACID'>PHB</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PHB:P-HYDROXYBENZOIC+ACID'>PHB</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3hgs\|3hgs]], [[3hgo\|3hgo]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3hgs\|3hgs]], [[3hgo\|3hgo]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">OPR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4081 ~~Solanum lycopersicum~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">OPR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4081 Lycopersicon esculentum])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42] </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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [http://www.ebi.ac.uk/pdbsum/3hgr 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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [http://pdbe.org/3hgr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [http://www.ebi.ac.uk/pdbsum/3hgr PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	<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=3hgr ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 29:
	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 3hgr" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[12-oxophytodienoate reductase\|12-oxophytodienoate reductase]]
	== References ==		== References ==
	<references/>		<references/>
Line 34:		Line 38:
	</StructureSection>		</StructureSection>
	[[Category: 12-oxophytodienoate reductase]]		[[Category: 12-oxophytodienoate reductase]]
-	[[Category: ~~Solanum lycopersicum~~]]	+	[[Category: Lycopersicon esculentum]]
	[[Category: Breithaupt, C]]		[[Category: Breithaupt, C]]
	[[Category: Clausen, T]]		[[Category: Clausen, T]]

OCA at 12:06, 25 December 2014

OCA — Thu, 25 Dec 2014 12:06:12 GMT

←Older revision		Revision as of 12:06, 25 December 2014
Line 9:		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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [http://www.ebi.ac.uk/pdbsum/3hgr 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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [http://www.ebi.ac.uk/pdbsum/3hgr PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/OPR1_SOLLC OPR1_SOLLC]] Specifically cleaves olefinic bonds in alpha,beta-unsaturated carbonyls and may be involved in detoxification or modification of these reactive compounds. May be involved in the biosynthesis or metabolism of oxylipin signaling molecules. In vitro, reduces 9R,13R-12-oxophyodienoic acid (9R,13R-OPDA) to 9R,13R-OPC-8:0, but not 9S,13S-OPDA, the natural precursor of jasmonic acid. Also reduces N-ethylmaleimide and maleic acid.<ref>PMID:12445129</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 09:30, 8 December 2014

OCA — Mon, 08 Dec 2014 09:30:19 GMT

←Older revision		Revision as of 09:30, 8 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3hgr.~~png~~\|~~left~~\|200px]]	+	==Crystal structure of tomato OPR1 in complex with pHB==
		+	<StructureSection load='3hgr' size='340' side='right' caption='[[3hgr]], [[Resolution\|resolution]] 2.30Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3hgr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Solanum_lycopersicum Solanum lycopersicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3HGR FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PHB:P-HYDROXYBENZOIC+ACID'>PHB</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3hgs\|3hgs]], [[3hgo\|3hgo]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">OPR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=4081 Solanum lycopersicum])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/12-oxophytodienoate_reductase 12-oxophytodienoate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.42 1.3.1.42] </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=3hgr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hgr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3hgr RCSB], [http://www.ebi.ac.uk/pdbsum/3hgr 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/hg/3hgr_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 ==
		+	12-Oxophytodienoate reductase 3 (OPR3) is a FMN-dependent oxidoreductase that catalyzes the reduction of the cyclopentenone (9S,13S)-12-oxophytodienoate [(9S,13S)-OPDA] to the corresponding cyclopentanone in the biosynthesis of the plant hormone jasmonic acid. In vitro, however, OPR3 reduces the jasmonic acid precursor (9S,13S)-OPDA as well as the enantiomeric (9R,13R)-OPDA, while its isozyme OPR1 is highly selective, accepting only (9R,13R)-OPDA as a substrate. To uncover the molecular determinants of this remarkable enantioselectivity, we determined the crystal structures of OPR1 and OPR3 in complex with the ligand p-hydroxybenzaldehyde. Structural comparison with the OPR1:(9R,13R)-OPDA complex and further biochemical and mutational analyses revealed that two active-site residues, Tyr78 and Tyr246 in OPR1 and Phe74 and His244 in OPR3, are critical for substrate filtering. The relatively smaller OPR3 residues allow formation of a wider substrate binding pocket that is less enantio-restrictive. Substitution of Phe74 and His244 by the corresponding OPR1 tyrosines resulted in an OPR3 mutant showing enhanced, OPR1-like substrate selectivity. Moreover, sequence analysis of the OPR family supports the filtering function of Tyr78 and Tyr246 and allows predictions with respect to substrate specificity and biological function of thus far uncharacterized OPR isozymes. The discovered structural features may also be relevant for other stereoselective proteins and guide the rational design of stereospecific enzymes for biotechnological applications.

-	~~{{STRUCTURE_3hgr\| PDB=3hgr \| SCENE= }}~~	+	Structural basis of substrate specificity of plant 12-oxophytodienoate reductases.,Breithaupt C, Kurzbauer R, Schaller F, Stintzi A, Schaller A, Huber R, Macheroux P, Clausen T J Mol Biol. 2009 Oct 9;392(5):1266-77. Epub 2009 Aug 4. PMID:19660473<ref>PMID:19660473</ref>

-	~~===Crystal structure~~ of ~~tomato OPR1 in complex with pHB===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19660473}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[3hgr]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Solanum_lycopersicum Solanum lycopersicum]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:019660473<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: 12-oxophytodienoate reductase]]		[[Category: 12-oxophytodienoate reductase]]
	[[Category: Solanum lycopersicum]]		[[Category: Solanum lycopersicum]]
-	[[Category: Breithaupt, C.]]	+	[[Category: Breithaupt, C]]
-	[[Category: Clausen, T.]]	+	[[Category: Clausen, T]]
	[[Category: Alpha beta barrel]]		[[Category: Alpha beta barrel]]
	[[Category: Complex]]		[[Category: Complex]]

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

OCA — Wed, 06 Mar 2013 14:54:24 GMT

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

←Older revision

Revision as of 14:54, 6 March 2013

OCA at 14:54, 6 March 2013

OCA — Wed, 06 Mar 2013 14:54:23 GMT

←Older revision		Revision as of 14:54, 6 March 2013
Line 1:		Line 1:
-	{{Seed}}
	[[Image:3hgr.png\|left\|200px]]		[[Image:3hgr.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3hgr", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3hgr\| PDB=3hgr \| SCENE= }}		{{STRUCTURE_3hgr\| PDB=3hgr \| SCENE= }}

	===Crystal structure of tomato OPR1 in complex with pHB===		===Crystal structure of tomato OPR1 in complex with pHB===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19660473}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19660473 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19660473}}		{{ABSTRACT_PUBMED_19660473}}

	==About this Structure==		==About this Structure==
-	~~3HGR~~ is a 2 ~~chains~~ structure ~~of sequences~~ from [http://en.wikipedia.org/wiki/Solanum_lycopersicum Solanum lycopersicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA].	+	[[3hgr]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Solanum_lycopersicum Solanum lycopersicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19660473~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019660473</ref><references group="xtra"/>
	[[Category: 12-oxophytodienoate reductase]]		[[Category: 12-oxophytodienoate reductase]]
	[[Category: Solanum lycopersicum]]		[[Category: Solanum lycopersicum]]
Line 30:		Line 18:
	[[Category: Alpha beta barrel]]		[[Category: Alpha beta barrel]]
	[[Category: Complex]]		[[Category: Complex]]
-	[[Category: Cytoplasm]]
	[[Category: Enantioselectivity]]		[[Category: Enantioselectivity]]
	[[Category: Fatty acid biosynthesis]]		[[Category: Fatty acid biosynthesis]]
Line 40:		Line 27:
	[[Category: Oxylipin biosynthesis]]		[[Category: Oxylipin biosynthesis]]
	[[Category: Reductase]]		[[Category: Reductase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Sep 21 19:27:27 2009''

OCA at 16:27, 21 September 2009

OCA — Mon, 21 Sep 2009 16:27:29 GMT

←Older revision		Revision as of 16:27, 21 September 2009
Line 12:		Line 12:
	===Crystal structure of tomato OPR1 in complex with pHB===		===Crystal structure of tomato OPR1 in complex with pHB===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19660473}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19660473 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19660473}}

	==About this Structure==		==About this Structure==
Line 35:		Line 41:
	[[Category: Reductase]]		[[Category: Reductase]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Sep 21 17:00:31 2009''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Sep 21 19:27:27 2009''

OCA at 14:00, 21 September 2009

OCA — Mon, 21 Sep 2009 14:00:32 GMT

←Older revision		Revision as of 14:00, 21 September 2009
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3hgr.png\|left\|200px]]

-	The ~~entry 3hgr~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3hgr", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3hgr\| PDB=3hgr \| SCENE= }}

-	~~Authors: Clausen, T., Breithaupt, C.~~	+	===Crystal structure of tomato OPR1 in complex with pHB===

-	Description: Crystal structure of tomato OPR1 in complex with pHB

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Wed Aug 5 09~~:43:50 2009''	+	==About this Structure==
		+	3HGR is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Solanum_lycopersicum Solanum lycopersicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HGR OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19660473</ref><references group="xtra"/>
		+	[[Category: 12-oxophytodienoate reductase]]
		+	[[Category: Solanum lycopersicum]]
		+	[[Category: Breithaupt, C.]]
		+	[[Category: Clausen, T.]]
		+	[[Category: Alpha beta barrel]]
		+	[[Category: Complex]]
		+	[[Category: Cytoplasm]]
		+	[[Category: Enantioselectivity]]
		+	[[Category: Fatty acid biosynthesis]]
		+	[[Category: Flavoprotein]]
		+	[[Category: Fmn]]
		+	[[Category: Lipid synthesis]]
		+	[[Category: Nadp]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Oxylipin biosynthesis]]
		+	[[Category: Reductase]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Sep 21 17:00:31 2009''