3qrw - Revision history

OCA at 10:49, 21 February 2024

OCA — Wed, 21 Feb 2024 10:49:48 GMT

←Older revision		Revision as of 10:49, 21 February 2024
Line 3:		Line 3:
	<StructureSection load='3qrw' size='340' side='right'caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>		<StructureSection load='3qrw' size='340' side='right'caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces~~ coelicolor~~" (muller 1908) lieske 1921~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QRW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QRW FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>~~, ~~<scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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]] 2.792Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~actIII, SCBAC28G1.12c, SCO5086 ([https~~:/~~/www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=1902 "Actinomyces coelicolor" (Muller 1908) Lieske 1921])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [https://pdbe.org/3qrw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [https://www.ebi.ac.uk/pdbsum/3qrw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qrw 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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [https://pdbe.org/3qrw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [https://www.ebi.ac.uk/pdbsum/3qrw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qrw ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/ACT3_STRCO ACT3_STRCO]
-	Type II polyketides include antibiotics such as tetracycline and chemotherapeutics such as daunorubicin. Type II polyketides are biosynthesized by the type II polyketide synthase (PKS) that consists of 5-10 stand-alone domains. In many type II PKSs, the type II ketoreductase (KR) specifically reduces the C9-carbonyl group. How the type II KR achieves such a high regiospecificity and the nature of stereospecificity are not well understood. Sequence alignment of KRs led to a hypothesis that a well-conserved 94-XGG-96 motif may be involved in controlling the stereochemistry. The stereospecificity of single-, double-, and triple-mutant combinations of P94L, G95D, and G96D were analyzed in vitro and in vivo for the actinorhodin KR (actKR). The P94L mutation is sufficient to change the stereospecificity of actKR. Binary and ternary crystal structures of both wild-type and P94L actKR were determined. Together with assay results, docking simulations, and cocrystal structures, a model for stereochemical control is presented herein that elucidates how type II polyketides are introduced into the substrate pocket such that the C9-carbonyl can be reduced with high regio- and stereospecificities. The molecular features of actKR important for regio- and stereospecificities can potentially be applied in biosynthesizing new polyketides via protein engineering that rationally controls polyketide keto reduction.	+
-		+
-	~~Structural and Biochemical Analyses of Regio- and Stereospecificities Observed in a Type II Polyketide Ketoreductase.,Javidpour P, Korman TP, Shakya G, Tsai SC Biochemistry. 2011 May 31;50(21)~~:~~4638-49. Epub 2011 May 4. PMID:21506596<ref>PMID:21506596<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®~~/~~PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 3qrw" style="background-color:#fffaf0;"></div>~~	+
-	~~== References ==~~	+
-	~~<references~~/>	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Javidpour, P~~]]	+	[[Category: Streptomyces coelicolor]]
-	[[Category: ~~Korman, T~~ P]]	+	[[Category: Javidpour P]]
-	[[Category: ~~Tsai, S C~~]]	+	[[Category: Korman TP]]
-	[[Category: ~~Actinorhodin]]~~	+	[[Category: Tsai S-C]]
-	~~[[Category: Ketoreductase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Polyketide]]~~	+
-	~~[[Category: Rossmann fold]]~~	+
-	~~[[Category: Short~~-~~chain dehydrogenase/reductase]]~~	+
-	~~[[Category: Type ii polyketide ketoreductase~~]]	+

OCA at 06:21, 8 June 2022

OCA — Wed, 08 Jun 2022 06:21:29 GMT

←Older revision		Revision as of 06:21, 8 June 2022
Line 3:		Line 3:
	<StructureSection load='3qrw' size='340' side='right'caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>		<StructureSection load='3qrw' size='340' side='right'caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces coelicolor" (muller 1908) lieske 1921]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3QRW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces coelicolor" (muller 1908) lieske 1921]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QRW FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">actIII, SCBAC28G1.12c, SCO5086 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 "Actinomyces coelicolor" (Muller 1908) Lieske 1921])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">actIII, SCBAC28G1.12c, SCO5086 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 "Actinomyces coelicolor" (Muller 1908) Lieske 1921])</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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [~~http~~://pdbe.org/3qrw PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3qrw PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3qrw 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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [https://pdbe.org/3qrw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [https://www.ebi.ac.uk/pdbsum/3qrw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qrw ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 11:35, 17 July 2019

OCA — Wed, 17 Jul 2019 11:35:03 GMT

←Older revision		Revision as of 11:35, 17 July 2019
Line 1:		Line 1:

	==Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH==		==Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH==
-	<StructureSection load='3qrw' size='340' side='right' caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>	+	<StructureSection load='3qrw' size='340' side='right'caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces coelicolor" (muller 1908) lieske 1921]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QRW FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces coelicolor" (muller 1908) lieske 1921]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QRW FirstGlance]. <br>
Line 21:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Javidpour, P]]		[[Category: Javidpour, P]]
	[[Category: Korman, T P]]		[[Category: Korman, T P]]

OCA at 15:20, 4 August 2016

OCA — Thu, 04 Aug 2016 15:20:25 GMT

←Older revision		Revision as of 15:20, 4 August 2016
Line 1:		Line 1:
		+
	==Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH==		==Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH==
	<StructureSection load='3qrw' size='340' side='right' caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>		<StructureSection load='3qrw' size='340' side='right' caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Streptomyces_coelicolor Streptomyces~~ coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QRW FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"actinomyces_coelicolor"_(muller_1908)_lieske_1921 "actinomyces coelicolor" (muller 1908) lieske 1921]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QRW FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">actIII, SCBAC28G1.12c, SCO5086 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 ~~Streptomyces~~ coelicolor])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">actIII, SCBAC28G1.12c, SCO5086 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 "Actinomyces coelicolor" (Muller 1908) Lieske 1921])</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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [http://www.ebi.ac.uk/pdbsum/3qrw 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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [http://pdbe.org/3qrw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [http://www.ebi.ac.uk/pdbsum/3qrw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qrw ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 15:		Line 16:
	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 3qrw" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Streptomyces coelicolor]]
	[[Category: Javidpour, P]]		[[Category: Javidpour, P]]
	[[Category: Korman, T P]]		[[Category: Korman, T P]]

OCA at 22:00, 3 January 2015

OCA — Sat, 03 Jan 2015 22:00:14 GMT

←Older revision		Revision as of 22:00, 3 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QRW FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QRW FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">actIII, SCBAC28G1.12c, SCO5086 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 Streptomyces coelicolor])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">actIII, SCBAC28G1.12c, SCO5086 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 Streptomyces coelicolor])</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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [http://www.ebi.ac.uk/pdbsum/3qrw 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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [http://www.ebi.ac.uk/pdbsum/3qrw 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 13:		Line 13:
	Structural and Biochemical Analyses of Regio- and Stereospecificities Observed in a Type II Polyketide Ketoreductase.,Javidpour P, Korman TP, Shakya G, Tsai SC Biochemistry. 2011 May 31;50(21):4638-49. Epub 2011 May 4. PMID:21506596<ref>PMID:21506596</ref>		Structural and Biochemical Analyses of Regio- and Stereospecificities Observed in a Type II Polyketide Ketoreductase.,Javidpour P, Korman TP, Shakya G, Tsai SC Biochemistry. 2011 May 31;50(21):4638-49. Epub 2011 May 4. PMID:21506596<ref>PMID:21506596</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>
	== References ==		== References ==
Line 20:		Line 20:
	</StructureSection>		</StructureSection>
	[[Category: Streptomyces coelicolor]]		[[Category: Streptomyces coelicolor]]
-	[[Category: Javidpour, P.]]	+	[[Category: Javidpour, P]]
-	[[Category: Korman, T P.]]	+	[[Category: Korman, T P]]
-	[[Category: Tsai, S C.]]	+	[[Category: Tsai, S C]]
	[[Category: Actinorhodin]]		[[Category: Actinorhodin]]
	[[Category: Ketoreductase]]		[[Category: Ketoreductase]]

OCA at 05:28, 4 June 2014

OCA — Wed, 04 Jun 2014 05:28:52 GMT

←Older revision		Revision as of 05:28, 4 June 2014
Line 1:		Line 1:
-	[[~~Image:~~3qrw.~~png~~\|~~left~~\|~~200px~~]]	+	==Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH==
		+	<StructureSection load='3qrw' size='340' side='right' caption='[[3qrw]], [[Resolution\|resolution]] 2.79Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QRW FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">actIII, SCBAC28G1.12c, SCO5086 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 Streptomyces coelicolor])</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=3qrw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qrw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qrw RCSB], [http://www.ebi.ac.uk/pdbsum/3qrw PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Type II polyketides include antibiotics such as tetracycline and chemotherapeutics such as daunorubicin. Type II polyketides are biosynthesized by the type II polyketide synthase (PKS) that consists of 5-10 stand-alone domains. In many type II PKSs, the type II ketoreductase (KR) specifically reduces the C9-carbonyl group. How the type II KR achieves such a high regiospecificity and the nature of stereospecificity are not well understood. Sequence alignment of KRs led to a hypothesis that a well-conserved 94-XGG-96 motif may be involved in controlling the stereochemistry. The stereospecificity of single-, double-, and triple-mutant combinations of P94L, G95D, and G96D were analyzed in vitro and in vivo for the actinorhodin KR (actKR). The P94L mutation is sufficient to change the stereospecificity of actKR. Binary and ternary crystal structures of both wild-type and P94L actKR were determined. Together with assay results, docking simulations, and cocrystal structures, a model for stereochemical control is presented herein that elucidates how type II polyketides are introduced into the substrate pocket such that the C9-carbonyl can be reduced with high regio- and stereospecificities. The molecular features of actKR important for regio- and stereospecificities can potentially be applied in biosynthesizing new polyketides via protein engineering that rationally controls polyketide keto reduction.

-	<!--	+	Structural and Biochemical Analyses of Regio- and Stereospecificities Observed in a Type II Polyketide Ketoreductase.,Javidpour P, Korman TP, Shakya G, Tsai SC Biochemistry. 2011 May 31;50(21):4638-49. Epub 2011 May 4. PMID:21506596<ref>PMID:21506596</ref>
-	~~The line below this paragraph~~, ~~containing "STRUCTURE_3qrw"~~, ~~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_3qrw\| PDB=3qrw \| SCENE= }}~~	+

-	~~===Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph~~, ~~{{ABSTRACT_PUBMED_21506596}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 21506596 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_21506596}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3qrw]] is a 2 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:021506596<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Streptomyces coelicolor]]		[[Category: Streptomyces coelicolor]]
	[[Category: Javidpour, P.]]		[[Category: Javidpour, P.]]

OCA at 08:02, 13 July 2011

OCA — Wed, 13 Jul 2011 08:02:38 GMT

←Older revision		Revision as of 08:02, 13 July 2011
Line 1:		Line 1:
-	[[Image:3qrw.~~jpg~~\|left\|200px]]	+	[[Image:3qrw.png\|left\|200px]]

	<!--		<!--
Line 27:		Line 27:
	[[Category: Korman, T P.]]		[[Category: Korman, T P.]]
	[[Category: Tsai, S C.]]		[[Category: Tsai, S C.]]
		+	[[Category: Actinorhodin]]
		+	[[Category: Ketoreductase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Polyketide]]
		+	[[Category: Rossmann fold]]
		+	[[Category: Short-chain dehydrogenase/reductase]]
		+	[[Category: Type ii polyketide ketoreductase]]

OCA at 05:27, 25 May 2011

OCA — Wed, 25 May 2011 05:27:39 GMT

←Older revision		Revision as of 05:27, 25 May 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3qrw.jpg\|left\|200px]]

-	The ~~entry 3qrw~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3qrw", 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_3qrw\| PDB=3qrw \| SCENE= }}

-	~~Authors: Korman, T.P., Javidpour, P., Tsai, S.-C.~~	+	===Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH===

-	~~Description: Actinorhodin Polyketide Ketoreductase Mutant P94L bound~~ to ~~NADPH~~	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21506596}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21506596 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21506596}}
		+
		+	==About this Structure==
		+	[[3qrw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QRW OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021506596</ref><references group="xtra"/>
		+	[[Category: Streptomyces coelicolor]]
		+	[[Category: Javidpour, P.]]
		+	[[Category: Korman, T P.]]
		+	[[Category: Tsai, S C.]]

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

OCA — Wed, 02 Mar 2011 06:42:36 GMT

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

←Older revision

Revision as of 06:42, 2 March 2011

OCA: New page: '''Unreleased structure''' The entry 3qrw is ON HOLD until Paper Publication Authors: Korman, T.P., Javidpour, P., Tsai, S.-C. Description: Actinorhodin Polyketide Ketoreductase Mutant...

OCA — Wed, 02 Mar 2011 06:42:36 GMT

New page: '''Unreleased structure''' The entry 3qrw is ON HOLD until Paper Publication Authors: Korman, T.P., Javidpour, P., Tsai, S.-C. Description: Actinorhodin Polyketide Ketoreductase Mutant...

New page

'''Unreleased structure'''

The entry 3qrw is ON HOLD until Paper Publication

Authors: Korman, T.P., Javidpour, P., Tsai, S.-C.

Description: Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH