4g22 - Revision history

OCA at 20:20, 19 October 2022

OCA — Wed, 19 Oct 2022 20:20:47 GMT

←Older revision		Revision as of 20:20, 19 October 2022
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	==Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)==		==Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)==
-	<StructureSection load='4g22' size='340' side='right' caption='[[4g22]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='4g22' size='340' side='right'caption='[[4g22]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4g22]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Cofca Cofca~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G22 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4G22 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4g22]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Coffea_canephora Coffea canephora]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G22 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4G22 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, ~~<scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</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=4g22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g22 OCA], [https://pdbe.org/4g22 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4g22 RCSB], [https://www.ebi.ac.uk/pdbsum/4g22 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4g22 ProSAT]</span></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4g0b\|4g0b]]~~, ~~[[4g2m\|4g2m]]~~<~~/td></tr>~~	+
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b></td><td class="sblockDat">HCT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=49390 COFCA])</td></tr>~~	+
-	~~<tr id='activity~~'>~~<td class="sblockLbl"><b>Activity:~~</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Shikimate_O-hydroxycinnamoyltransferase Shikimate O-hydroxycinnamoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.133 2.3.1.133] </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=4g22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g22 OCA], [~~http~~://pdbe.org/4g22 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4g22 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4g22 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4g22 ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A4ZKE4_COFCA A4ZKE4_COFCA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Cofca~~]]	+	[[Category: Coffea canephora]]
-	[[Category: ~~Shikimate O-hydroxycinnamoyltransferase~~]]	+	[[Category: Large Structures]]
-	[[Category: Lallemand~~, L A~~]]	+	[[Category: Lallemand LA]]
-	[[Category: McCarthy~~, A A~~]]	+	[[Category: McCarthy AA]]
-	[[Category: McCarthy~~, J G]]~~	+	[[Category: McCarthy JG]]
-	~~[[Category: Bahd superfamily]]~~	+
-	~~[[Category: Hydroxycinnamoyltransferase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 19:54, 15 December 2016

OCA — Thu, 15 Dec 2016 19:54:14 GMT

←Older revision		Revision as of 19:54, 15 December 2016
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		+
	==Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)==		==Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)==
	<StructureSection load='4g22' size='340' side='right' caption='[[4g22]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='4g22' size='340' side='right' caption='[[4g22]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4g22]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Coffea_canephora Coffea canephora~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G22 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4G22 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4g22]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Cofca Cofca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G22 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4G22 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4g0b\|4g0b]], [[4g2m\|4g2m]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4g0b\|4g0b]], [[4g2m\|4g2m]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HCT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=49390 ~~Coffea canephora~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HCT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=49390 COFCA])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Shikimate_O-hydroxycinnamoyltransferase Shikimate O-hydroxycinnamoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.133 2.3.1.133] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Shikimate_O-hydroxycinnamoyltransferase Shikimate O-hydroxycinnamoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.133 2.3.1.133] </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=4g22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g22 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4g22 RCSB], [http://www.ebi.ac.uk/pdbsum/4g22 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=4g22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g22 OCA], [http://pdbe.org/4g22 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4g22 RCSB], [http://www.ebi.ac.uk/pdbsum/4g22 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4g22 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 18:		Line 19:
	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 4g22" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Coffea canephora~~]]	+	[[Category: Cofca]]
	[[Category: Shikimate O-hydroxycinnamoyltransferase]]		[[Category: Shikimate O-hydroxycinnamoyltransferase]]
	[[Category: Lallemand, L A]]		[[Category: Lallemand, L A]]

OCA at 17:24, 9 December 2014

OCA — Tue, 09 Dec 2014 17:24:36 GMT

←Older revision		Revision as of 17:24, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~4g22.~~png~~\|~~left~~\|~~200px~~]]	+	==Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)==
		+	<StructureSection load='4g22' size='340' side='right' caption='[[4g22]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4g22]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Coffea_canephora Coffea canephora]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G22 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4G22 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4g0b\|4g0b]], [[4g2m\|4g2m]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HCT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=49390 Coffea canephora])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Shikimate_O-hydroxycinnamoyltransferase Shikimate O-hydroxycinnamoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.133 2.3.1.133] </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=4g22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4g22 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4g22 RCSB], [http://www.ebi.ac.uk/pdbsum/4g22 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Chlorogenic acids (CGA) are a group of phenolic secondary metabolites produced by certain plant species and an important component of coffee. The CGAs have been implicated in biotic and abiotic stress responses, while the related shikimate esters are key intermediates for lignin biosynthesis. Here, two hydroxycinnamoyl-CoA shikimate/ quinate hydroxycinnamoyl-transferases (HCT/HQT) from Coffea canephora were biochemically characterized. We show for the first time that, in vitro, HCT is capable of synthesizing the 3,5-O-dicaffeoylquinic acid diester (diCQA), a major constituent of the immature coffee grain. In order to further understand the substrate specificity and catalytic mechanism of the HCT/HQT, we performed structural and mutagnesis studies of HCT. The three-dimensional structure of a native HCT and a proteolytically stable lysine mutant enabled the identification of important residues involved in substrate specificity and catalysis. Site-directed mutagenesis confirmed the role of residues Leu-400 and Phe-402 in substrate specificity and His-153 and the Val-31 to Pro-37 loop in catalysis. In addition, the His-154-Asn mutant was observed to produce 4-fold more diCGAs compared to the native protein. These data provide the first structural characterization of a HCT and, in conjunction with the biochemical and mutagenesis studies presented here, delineate the underlying molecular level determinants for substrate specificity and catalysis. This work has potential applications in fine-tuning the levels of shikimate and quinate esters (CGAs including diCGAs), in different plant species in order to generate reduced or elevated levels of the desired target compounds.

-	~~{{STRUCTURE_4g22\| PDB=4g22 \| SCENE= }}~~	+	A STRUCTURAL BASIS FOR THE BIOSYNTHESIS OF THE MAJOR CHLOROGENIC ACIDS FOUND IN COFFEE.,Lallemand LA, Zubieta C, Lee SG, Wang Y, Acajjaoui S, Timmins J, McSweeney S, Jez JM, McCarthy JG, McCarthy AA Plant Physiol. 2012 Jul 20. PMID:22822210<ref>PMID:22822210</ref>

-	~~===Structure~~ of ~~a Lys-HCT mutant from Coffea canephora (Crystal form 1)===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_22822210}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[4g22]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Coffea_canephora Coffea canephora]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=4G22 OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:022822210<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Coffea canephora]]		[[Category: Coffea canephora]]
	[[Category: Shikimate O-hydroxycinnamoyltransferase]]		[[Category: Shikimate O-hydroxycinnamoyltransferase]]
-	[[Category: Lallemand, L A.]]	+	[[Category: Lallemand, L A]]
-	[[Category: McCarthy, A A.]]	+	[[Category: McCarthy, A A]]
-	[[Category: McCarthy, J G.]]	+	[[Category: McCarthy, J G]]
	[[Category: Bahd superfamily]]		[[Category: Bahd superfamily]]
	[[Category: Hydroxycinnamoyltransferase]]		[[Category: Hydroxycinnamoyltransferase]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 05:38, 29 August 2012

OCA — Wed, 29 Aug 2012 05:38:51 GMT

←Older revision		Revision as of 05:38, 29 August 2012
Line 1:		Line 1:
-	[[Image:4g22.~~jpg~~\|left\|200px]]	+	[[Image:4g22.png\|left\|200px]]

	{{STRUCTURE_4g22\| PDB=4g22 \| SCENE= }}		{{STRUCTURE_4g22\| PDB=4g22 \| SCENE= }}

OCA at 05:51, 1 August 2012

OCA — Wed, 01 Aug 2012 05:51:42 GMT

←Older revision		Revision as of 05:51, 1 August 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:4g22.jpg\|left\|200px]]

-	~~The entry~~ 4g22 ~~is ON HOLD~~ ~~until Paper Publication~~	+	{{STRUCTURE_4g22\| PDB=4g22 \| SCENE= }}

-	~~Authors: McCarthy, A.A., Lallemand, L.A., McCarthy, J.G.~~	+	===Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)===

-	~~Description:~~ Structure of a ~~Lys-HCT mutant~~ from Coffea canephora ~~(Crystal form 1)~~	+	{{ABSTRACT_PUBMED_22822210}}
		+
		+	==About this Structure==
		+	[[4g22]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Coffea_canephora Coffea canephora]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4G22 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:022822210</ref><references group="xtra"/>
		+	[[Category: Coffea canephora]]
		+	[[Category: Shikimate O-hydroxycinnamoyltransferase]]
		+	[[Category: Lallemand, L A.]]
		+	[[Category: McCarthy, A A.]]
		+	[[Category: McCarthy, J G.]]
		+	[[Category: Bahd superfamily]]
		+	[[Category: Hydroxycinnamoyltransferase]]
		+	[[Category: Transferase]]

OCA at 06:50, 25 July 2012

OCA — Wed, 25 Jul 2012 06:50:25 GMT

←Older revision		Revision as of 06:50, 25 July 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4g22 is ON HOLD	+	The entry 4g22 is ON HOLD until Paper Publication

	Authors: McCarthy, A.A., Lallemand, L.A., McCarthy, J.G.		Authors: McCarthy, A.A., Lallemand, L.A., McCarthy, J.G.

	Description: Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)		Description: Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)

OCA: Protected "4g22" [edit=sysop:move=sysop]

OCA — Wed, 18 Jul 2012 05:08:35 GMT

Protected "4g22" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:08, 18 July 2012

OCA: New page: '''Unreleased structure''' The entry 4g22 is ON HOLD Authors: McCarthy, A.A., Lallemand, L.A., McCarthy, J.G. Description: Structure of a Lys-HCT mutant from Coffea canephora (Crystal ...

OCA — Wed, 18 Jul 2012 05:08:34 GMT

New page: '''Unreleased structure''' The entry 4g22 is ON HOLD Authors: McCarthy, A.A., Lallemand, L.A., McCarthy, J.G. Description: Structure of a Lys-HCT mutant from Coffea canephora (Crystal ...

New page

'''Unreleased structure'''

The entry 4g22 is ON HOLD

Authors: McCarthy, A.A., Lallemand, L.A., McCarthy, J.G.

Description: Structure of a Lys-HCT mutant from Coffea canephora (Crystal form 1)