1d6f - Revision history

OCA at 06:49, 7 February 2024

OCA — Wed, 07 Feb 2024 06:49:52 GMT

←Older revision		Revision as of 06:49, 7 February 2024
Line 3:		Line 3:
	<StructureSection load='1d6f' size='340' side='right'caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>		<StructureSection load='1d6f' size='340' side='right'caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Alfalfa Alfalfa~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D6F FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Medicago_sativa Medicago sativa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D6F FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=B3P:2~~-[~~3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO~~]~~-2-HYDROXYMETHYL-PROPANE-~~1~~,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.69Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;'>~~[~~[1bi5\|1bi5]]~~, ~~[[1bq6\|1bq6]~~], ~~[[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</div~~></td><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>~~[https://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74]~~ </~~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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [https://pdbe.org/1d6f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [https://www.ebi.ac.uk/pdbsum/1d6f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d6f 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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [https://pdbe.org/1d6f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [https://www.ebi.ac.uk/pdbsum/1d6f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d6f ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/CHS2_MEDSA CHS2_MEDSA]] The primary product of this enzyme is 4,2',4',6'-tetrahydroxychalcone (also termed naringenin-chalcone or chalcone) which can under specific conditions spontaneously isomerize into naringenin.<ref>PMID:10653632</ref> <ref>PMID:11732902</ref> <ref>PMID:11959984</ref> <ref>PMID:15380179</ref>	+	[https://www.uniprot.org/uniprot/CHS2_MEDSA CHS2_MEDSA] The primary product of this enzyme is 4,2',4',6'-tetrahydroxychalcone (also termed naringenin-chalcone or chalcone) which can under specific conditions spontaneously isomerize into naringenin.<ref>PMID:10653632</ref> <ref>PMID:11732902</ref> <ref>PMID:11959984</ref> <ref>PMID:15380179</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 21:		Line 20:
	</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=1d6f 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=1d6f ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Chalcone synthase (CHS) catalyzes formation of the phenylpropanoid chalcone from one p-coumaroyl-CoA and three malonyl-coenzyme A (CoA) thioesters. The three-dimensional structure of CHS [Ferrer, J.-L., Jez, J. M., Bowman, M. E., Dixon, R. A., and Noel, J. P. (1999) Nat. Struct. Biol. 6, 775-784] suggests that four residues (Cys164, Phe215, His303, and Asn336) participate in the multiple decarboxylation and condensation reactions catalyzed by this enzyme. Here, we functionally characterize 16 point mutants of these residues for chalcone production, malonyl-CoA decarboxylation, and the ability to bind CoA and acetyl-CoA. Our results confirm Cys164's role as the active-site nucleophile in polyketide formation and elucidate the importance of His303 and Asn336 in the malonyl-CoA decarboxylation reaction. We suggest that Phe215 may help orient substrates at the active site during elongation of the polyketide intermediate. To better understand the structure-function relationships in some of these mutants, we also determined the crystal structures of the CHS C164A, H303Q, and N336A mutants refined to 1.69, 2.0, and 2.15 A resolution, respectively. The structure of the C164A mutant reveals that the proposed oxyanion hole formed by His303 and Asn336 remains undisturbed, allowing this mutant to catalyze malonyl-CoA decarboxylation without chalcone formation. The structures of the H303Q and N336A mutants support the importance of His303 and Asn336 in polarizing the thioester carbonyl of malonyl-CoA during the decarboxylation reaction. In addition, both of these residues may also participate in stabilizing the tetrahedral transition state during polyketide elongation. Conservation of the catalytic functions of the active-site residues may occur across a wide variety of condensing enzymes, including other polyketide and fatty acid synthases.
-
-	Dissection of malonyl-coenzyme A decarboxylation from polyketide formation in the reaction mechanism of a plant polyketide synthase.,Jez JM, Ferrer JL, Bowman ME, Dixon RA, Noel JP Biochemistry. 2000 Feb 8;39(5):890-902. PMID:10653632<ref>PMID:10653632</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1d6f" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 37:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Alfalfa]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Naringenin-chalcone synthase~~]]	+	[[Category: Medicago sativa]]
-	[[Category: Bowman~~, M E~~]]	+	[[Category: Bowman ME]]
-	[[Category: Dixon~~, R A~~]]	+	[[Category: Dixon RA]]
-	[[Category: Ferrer~~, J L~~]]	+	[[Category: Ferrer JL]]
-	[[Category: Jez~~, J M~~]]	+	[[Category: Jez JM]]
-	[[Category: Noel~~, J P]]~~	+	[[Category: Noel JP]]
-	~~[[Category: Flavonoid biosynthesis]]~~	+
-	~~[[Category: Malonyl-coa decarboxylation]]~~	+
-	~~[[Category: Polypetide synthase]]~~	+
-	~~[[Category: Site- directed mutant]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 06:29, 11 August 2021

OCA — Wed, 11 Aug 2021 06:29:52 GMT

←Older revision		Revision as of 06:29, 11 August 2021
Line 3:		Line 3:
	<StructureSection load='1d6f' size='340' side='right'caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>		<StructureSection load='1d6f' size='340' side='right'caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Alfalfa Alfalfa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1D6F FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Alfalfa Alfalfa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D6F FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [~~http~~://pdbe.org/1d6f PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1d6f PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1d6f 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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [https://pdbe.org/1d6f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [https://www.ebi.ac.uk/pdbsum/1d6f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d6f ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CHS2_MEDSA CHS2_MEDSA]] The primary product of this enzyme is 4,2',4',6'-tetrahydroxychalcone (also termed naringenin-chalcone or chalcone) which can under specific conditions spontaneously isomerize into naringenin.<ref>PMID:10653632</ref> <ref>PMID:11732902</ref> <ref>PMID:11959984</ref> <ref>PMID:15380179</ref>	+	[[https://www.uniprot.org/uniprot/CHS2_MEDSA CHS2_MEDSA]] The primary product of this enzyme is 4,2',4',6'-tetrahydroxychalcone (also termed naringenin-chalcone or chalcone) which can under specific conditions spontaneously isomerize into naringenin.<ref>PMID:10653632</ref> <ref>PMID:11732902</ref> <ref>PMID:11959984</ref> <ref>PMID:15380179</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 30:		Line 30:
	</div>		</div>
	<div class="pdbe-citations 1d6f" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1d6f" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Chalcone synthase\|Chalcone synthase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:18, 6 November 2019

OCA — Wed, 06 Nov 2019 09:18:31 GMT

←Older revision		Revision as of 09:18, 6 November 2019
Line 1:		Line 1:

	==CHALCONE SYNTHASE C164A MUTANT==		==CHALCONE SYNTHASE C164A MUTANT==
-	<StructureSection load='1d6f' size='340' side='right' caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>	+	<StructureSection load='1d6f' size='340' side='right'caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Alfalfa Alfalfa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D6F FirstGlance]. <br>		<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Alfalfa Alfalfa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D6F FirstGlance]. <br>
Line 35:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Alfalfa]]		[[Category: Alfalfa]]
		+	[[Category: Large Structures]]
	[[Category: Naringenin-chalcone synthase]]		[[Category: Naringenin-chalcone synthase]]
	[[Category: Bowman, M E]]		[[Category: Bowman, M E]]

OCA at 08:35, 6 December 2017

OCA — Wed, 06 Dec 2017 08:35:23 GMT

←Older revision		Revision as of 08:35, 6 December 2017
Line 1:		Line 1:
		+
	==CHALCONE SYNTHASE C164A MUTANT==		==CHALCONE SYNTHASE C164A MUTANT==
	<StructureSection load='1d6f' size='340' side='right' caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>		<StructureSection load='1d6f' size='340' side='right' caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://pdbe.org/1d6f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f 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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://pdbe.org/1d6f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1d6f ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 14:		Line 15:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/d6/1d6f_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/d6/1d6f_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>

OCA at 02:34, 8 February 2016

OCA — Mon, 08 Feb 2016 02:34:54 GMT

←Older revision		Revision as of 02:34, 8 February 2016
Line 18:		Line 18:
	<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=1d6f ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 07:03, 10 September 2015

OCA — Thu, 10 Sep 2015 07:03:20 GMT

←Older revision		Revision as of 07:03, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='1d6f' size='340' side='right' caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>		<StructureSection load='1d6f' size='340' side='right' caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Medicago_sativa Medicago sativa~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D6F FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Alfalfa Alfalfa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D6F FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f 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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://pdbe.org/1d6f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 28:		Line 28:
	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 1d6f" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Medicago sativa~~]]	+	[[Category: Alfalfa]]
	[[Category: Naringenin-chalcone synthase]]		[[Category: Naringenin-chalcone synthase]]
	[[Category: Bowman, M E]]		[[Category: Bowman, M E]]

OCA at 19:56, 24 December 2014

OCA — Wed, 24 Dec 2014 19:56:14 GMT

←Older revision		Revision as of 19:56, 24 December 2014
Line 8:		Line 8:
	<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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f 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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CHS2_MEDSA CHS2_MEDSA]] The primary product of this enzyme is 4,2',4',6'-tetrahydroxychalcone (also termed naringenin-chalcone or chalcone) which can under specific conditions spontaneously isomerize into naringenin.<ref>PMID:10653632</ref> <ref>PMID:11732902</ref> <ref>PMID:11959984</ref> <ref>PMID:15380179</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 22:02, 22 December 2014

OCA — Mon, 22 Dec 2014 22:02:09 GMT

←Older revision		Revision as of 22:02, 22 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Medicago_sativa Medicago sativa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D6F FirstGlance]. <br>		<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Medicago_sativa Medicago sativa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D6F FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f 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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f 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 32:		Line 32:
	[[Category: Medicago sativa]]		[[Category: Medicago sativa]]
	[[Category: Naringenin-chalcone synthase]]		[[Category: Naringenin-chalcone synthase]]
-	[[Category: Bowman, M E.]]	+	[[Category: Bowman, M E]]
-	[[Category: Dixon, R A.]]	+	[[Category: Dixon, R A]]
-	[[Category: Ferrer, J L.]]	+	[[Category: Ferrer, J L]]
-	[[Category: Jez, J M.]]	+	[[Category: Jez, J M]]
-	[[Category: Noel, J P.]]	+	[[Category: Noel, J P]]
	[[Category: Flavonoid biosynthesis]]		[[Category: Flavonoid biosynthesis]]
	[[Category: Malonyl-coa decarboxylation]]		[[Category: Malonyl-coa decarboxylation]]

OCA at 06:47, 4 September 2014

OCA — Thu, 04 Sep 2014 06:47:09 GMT

←Older revision		Revision as of 06:47, 4 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1d6f.~~png~~\|~~left~~\|200px]]	+	==CHALCONE SYNTHASE C164A MUTANT==
		+	<StructureSection load='1d6f' size='340' side='right' caption='[[1d6f]], [[Resolution\|resolution]] 1.69Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1d6f]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Medicago_sativa Medicago sativa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D6F FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>B3P</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1bi5\|1bi5]], [[1bq6\|1bq6]], [[1cgk\|1cgk]], [[1cgz\|1cgz]], [[1chw\|1chw]], [[1cml\|1cml]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Naringenin-chalcone_synthase Naringenin-chalcone synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.74 2.3.1.74] </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=1d6f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d6f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1d6f RCSB], [http://www.ebi.ac.uk/pdbsum/1d6f 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/d6/1d6f_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 ==
		+	Chalcone synthase (CHS) catalyzes formation of the phenylpropanoid chalcone from one p-coumaroyl-CoA and three malonyl-coenzyme A (CoA) thioesters. The three-dimensional structure of CHS [Ferrer, J.-L., Jez, J. M., Bowman, M. E., Dixon, R. A., and Noel, J. P. (1999) Nat. Struct. Biol. 6, 775-784] suggests that four residues (Cys164, Phe215, His303, and Asn336) participate in the multiple decarboxylation and condensation reactions catalyzed by this enzyme. Here, we functionally characterize 16 point mutants of these residues for chalcone production, malonyl-CoA decarboxylation, and the ability to bind CoA and acetyl-CoA. Our results confirm Cys164's role as the active-site nucleophile in polyketide formation and elucidate the importance of His303 and Asn336 in the malonyl-CoA decarboxylation reaction. We suggest that Phe215 may help orient substrates at the active site during elongation of the polyketide intermediate. To better understand the structure-function relationships in some of these mutants, we also determined the crystal structures of the CHS C164A, H303Q, and N336A mutants refined to 1.69, 2.0, and 2.15 A resolution, respectively. The structure of the C164A mutant reveals that the proposed oxyanion hole formed by His303 and Asn336 remains undisturbed, allowing this mutant to catalyze malonyl-CoA decarboxylation without chalcone formation. The structures of the H303Q and N336A mutants support the importance of His303 and Asn336 in polarizing the thioester carbonyl of malonyl-CoA during the decarboxylation reaction. In addition, both of these residues may also participate in stabilizing the tetrahedral transition state during polyketide elongation. Conservation of the catalytic functions of the active-site residues may occur across a wide variety of condensing enzymes, including other polyketide and fatty acid synthases.

-	~~{{STRUCTURE_1d6f\| PDB=1d6f \| SCENE= }}~~	+	Dissection of malonyl-coenzyme A decarboxylation from polyketide formation in the reaction mechanism of a plant polyketide synthase.,Jez JM, Ferrer JL, Bowman ME, Dixon RA, Noel JP Biochemistry. 2000 Feb 8;39(5):890-902. PMID:10653632<ref>PMID:10653632</ref>

-	~~===CHALCONE SYNTHASE C164A MUTANT===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_10653632}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[1d6f]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Medicago_sativa Medicago sativa]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=1D6F OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:010653632<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Medicago sativa]]		[[Category: Medicago sativa]]
	[[Category: Naringenin-chalcone synthase]]		[[Category: Naringenin-chalcone synthase]]

OCA: Protected "1d6f" [edit=sysop:move=sysop]

OCA — Sun, 21 Oct 2012 20:21:14 GMT

Protected "1d6f" [edit=sysop:move=sysop]

←Older revision

Revision as of 20:21, 21 October 2012