4u7w - Revision history

OCA at 06:52, 3 April 2024

OCA — Wed, 03 Apr 2024 06:52:57 GMT

←Older revision		Revision as of 06:52, 3 April 2024
Line 10:		Line 10:
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/Q93TX2_STIAU Q93TX2_STIAU]		[https://www.uniprot.org/uniprot/Q93TX2_STIAU Q93TX2_STIAU]
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The terminal reductase (R) domain from the non-ribosomal peptide synthetase (NRPS) module MxaA in Stigmatella aurantiaca Sga15 catalyzes a non-processive four-electron reduction to produce the myxalamide family of secondary metabolites. Despite widespread use in nature, a lack of structural and mechanistic information concerning reductive release from polyketide synthase (PKS) and NRPS assembly lines principally limits our ability to redesign R domains with altered or improved activity. Here we report crystal structures for MxaA R, both in the absence and, for the first time, in the presence of the NADPH cofactor. Molecular dynamics simulations were employed to provide a deeper understanding of this domain and further identify residues critical for structural integrity, substrate binding, and catalysis. Aggregate computational and structural findings provided a basis for mechanistic investigations and, in the process, delivered a rationally altered variant with improved activity toward highly reduced substrates.
-
-	Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.,Barajas JF, Phelan RM, Schaub AJ, Kliewer JT, Kelly PJ, Jackson DR, Luo R, Keasling JD, Tsai SC Chem Biol. 2015 Jul 29. pii: S1074-5521(15)00248-3. doi:, 10.1016/j.chembiol.2015.06.022. PMID:26235055<ref>PMID:26235055</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4u7w" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 00:50, 28 December 2023

OCA — Thu, 28 Dec 2023 00:50:22 GMT

←Older revision		Revision as of 00:50, 28 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Stigmatella_aurantiaca Stigmatella aurantiaca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4U7W FirstGlance]. <br>		<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Stigmatella_aurantiaca Stigmatella aurantiaca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4U7W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</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]] 1.899Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [https://pdbe.org/4u7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [https://www.ebi.ac.uk/pdbsum/4u7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4u7w 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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [https://pdbe.org/4u7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [https://www.ebi.ac.uk/pdbsum/4u7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4u7w ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:07, 22 March 2023

OCA — Wed, 22 Mar 2023 08:07:29 GMT

←Older revision		Revision as of 08:07, 22 March 2023
Line 3:		Line 3:
	<StructureSection load='4u7w' size='340' side='right'caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4u7w' size='340' side='right'caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"chondromyces_aurantiacus"_(berkeley_and_curtis)_thaxter_1892 "chondromyces aurantiacus" (berkeley and curtis) thaxter 1892~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4U7W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Stigmatella_aurantiaca Stigmatella aurantiaca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4U7W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=~~MSE~~:~~SELENOMETHIONINE~~'>~~MSE~~</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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [https://pdbe.org/4u7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [https://www.ebi.ac.uk/pdbsum/4u7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4u7w ProSAT]</span></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4w4t\|4w4t]]</td></tr>~~	+
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mxaA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=41 "Chondromyces aurantiacus" (Berkeley and Curtis) Thaxter 1892])</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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [~~http~~://pdbe.org/4u7w PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4u7w PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4u7w ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q93TX2_STIAU Q93TX2_STIAU]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Barajas~~, J F~~]]	+	[[Category: Stigmatella aurantiaca]]
-	[[Category: Keasling~~, J D~~]]	+	[[Category: Barajas JF]]
-	[[Category: Kliewer, J]]	+	[[Category: Keasling JD]]
-	[[Category: Luo, R]]	+	[[Category: Kliewer J]]
-	[[Category: Phelan~~, R M~~]]	+	[[Category: Luo R]]
-	[[Category: Schaub~~, A J~~]]	+	[[Category: Phelan RM]]
-	[[Category: Tsai~~, S C]]~~	+	[[Category: Schaub AJ]]
-	~~[[Category: Non-ribosomal peptide]]~~	+	[[Category: Tsai SC]]
-	~~[[Category: Non-ribosomal peptide synthetase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Polyketide]]~~	+
-	~~[[Category: Polyketide synthase]]~~	+
-	~~[[Category: Reductase]]~~	+
-	~~[[Category: Rossmann fold]]~~	+
-	~~[[Category: Short-chain dehydrogenase]]~~	+
-	~~[[Category: Thioesterase~~]]	+

OCA at 10:22, 25 December 2019

OCA — Wed, 25 Dec 2019 10:22:56 GMT

←Older revision		Revision as of 10:22, 25 December 2019
Line 3:		Line 3:
	<StructureSection load='4u7w' size='340' side='right'caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4u7w' size='340' side='right'caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U7W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"chondromyces_aurantiacus"_(berkeley_and_curtis)_thaxter_1892 "chondromyces aurantiacus" (berkeley and curtis) thaxter 1892]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U7W FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4w4t\|4w4t]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4w4t\|4w4t]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mxaA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=41 "Chondromyces aurantiacus" (Berkeley and Curtis) Thaxter 1892])</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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [http://pdbe.org/4u7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [http://www.ebi.ac.uk/pdbsum/4u7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4u7w ProSAT]</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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [http://pdbe.org/4u7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [http://www.ebi.ac.uk/pdbsum/4u7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4u7w ProSAT]</span></td></tr>
	</table>		</table>

OCA at 06:52, 10 July 2019

OCA — Wed, 10 Jul 2019 06:52:28 GMT

←Older revision		Revision as of 06:52, 10 July 2019
Line 1:		Line 1:

	==The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway==		==The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway==
-	<StructureSection load='4u7w' size='340' side='right' caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='4u7w' size='340' side='right'caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U7W FirstGlance]. <br>		<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U7W FirstGlance]. <br>
Line 22:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Barajas, J F]]		[[Category: Barajas, J F]]
	[[Category: Keasling, J D]]		[[Category: Keasling, J D]]

OCA at 05:53, 6 October 2017

OCA — Fri, 06 Oct 2017 05:53:34 GMT

←Older revision		Revision as of 05:53, 6 October 2017
Line 1:		Line 1:
		+
	==The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway==		==The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway==
	<StructureSection load='4u7w' size='340' side='right' caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4u7w' size='340' side='right' caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>
Line 6:		Line 7:
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4w4t\|4w4t]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4w4t\|4w4t]]</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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [http://www.ebi.ac.uk/pdbsum/4u7w 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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [http://pdbe.org/4u7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [http://www.ebi.ac.uk/pdbsum/4u7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4u7w ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	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 4u7w" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 14:34, 12 August 2015

OCA — Wed, 12 Aug 2015 14:34:47 GMT

←Older revision		Revision as of 14:34, 12 August 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway==
		+	<StructureSection load='4u7w' size='340' side='right' caption='[[4u7w]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4u7w]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U7W FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4w4t\|4w4t]]</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=4u7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u7w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4u7w RCSB], [http://www.ebi.ac.uk/pdbsum/4u7w PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The terminal reductase (R) domain from the non-ribosomal peptide synthetase (NRPS) module MxaA in Stigmatella aurantiaca Sga15 catalyzes a non-processive four-electron reduction to produce the myxalamide family of secondary metabolites. Despite widespread use in nature, a lack of structural and mechanistic information concerning reductive release from polyketide synthase (PKS) and NRPS assembly lines principally limits our ability to redesign R domains with altered or improved activity. Here we report crystal structures for MxaA R, both in the absence and, for the first time, in the presence of the NADPH cofactor. Molecular dynamics simulations were employed to provide a deeper understanding of this domain and further identify residues critical for structural integrity, substrate binding, and catalysis. Aggregate computational and structural findings provided a basis for mechanistic investigations and, in the process, delivered a rationally altered variant with improved activity toward highly reduced substrates.

-	~~The entry 4u7w is ON HOLD until Paper Publication~~	+	Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.,Barajas JF, Phelan RM, Schaub AJ, Kliewer JT, Kelly PJ, Jackson DR, Luo R, Keasling JD, Tsai SC Chem Biol. 2015 Jul 29. pii: S1074-5521(15)00248-3. doi:, 10.1016/j.chembiol.2015.06.022. PMID:26235055<ref>PMID:26235055</ref>

-	~~Authors: Tsai~~, S.~~C., Keasling, J.D., Luo, R., Barajas, J.F., Phelan, R.M., Schaub, A.J., Kliewer, J~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
-	[[Category: ~~Barajas~~, J.F]]	+	__TOC__
-	[[Category: ~~Keasling~~, J.D]]	+	</StructureSection>
		+	[[Category: Barajas, J F]]
		+	[[Category: Keasling, J D]]
		+	[[Category: Kliewer, J]]
	[[Category: Luo, R]]		[[Category: Luo, R]]
-	[[Category: ~~Kliewer~~, J]]	+	[[Category: Phelan, R M]]
-	[[Category: Schaub, A.J]]	+	[[Category: Schaub, A J]]
-	[[Category: ~~Phelan~~, ~~R.M~~]]	+	[[Category: Tsai, S C]]
-	[[Category: ~~Tsai, S.C~~]]	+	[[Category: Non-ribosomal peptide]]
		+	[[Category: Non-ribosomal peptide synthetase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Polyketide]]
		+	[[Category: Polyketide synthase]]
		+	[[Category: Reductase]]
		+	[[Category: Rossmann fold]]
		+	[[Category: Short-chain dehydrogenase]]
		+	[[Category: Thioesterase]]

OCA at 18:13, 24 December 2014

OCA — Wed, 24 Dec 2014 18:13:58 GMT

←Older revision		Revision as of 18:13, 24 December 2014
Line 6:		Line 6:

	Description: The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway		Description: The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway
		+	[[Category: Unreleased Structures]]
		+	[[Category: Barajas, J.F]]
		+	[[Category: Keasling, J.D]]
		+	[[Category: Luo, R]]
		+	[[Category: Kliewer, J]]
		+	[[Category: Schaub, A.J]]
		+	[[Category: Phelan, R.M]]
		+	[[Category: Tsai, S.C]]

OCA at 15:03, 20 August 2014

OCA — Wed, 20 Aug 2014 15:03:38 GMT

←Older revision		Revision as of 15:03, 20 August 2014
Line 3:		Line 3:
	The entry 4u7w is ON HOLD until Paper Publication		The entry 4u7w is ON HOLD until Paper Publication

-	Authors: Tsai, SC., Keasling, J.D., Luo, R., Barajas, J.F., Phelan, R.M., Schaub, A.J., Kliewer, J.	+	Authors: Tsai, S.C., Keasling, J.D., Luo, R., Barajas, J.F., Phelan, R.M., Schaub, A.J., Kliewer, J.

	Description: The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway		Description: The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway

OCA at 08:06, 13 August 2014

OCA — Wed, 13 Aug 2014 08:06:29 GMT

←Older revision		Revision as of 08:06, 13 August 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4u7w is ON HOLD	+	The entry 4u7w is ON HOLD until Paper Publication

	Authors: Tsai, SC., Keasling, J.D., Luo, R., Barajas, J.F., Phelan, R.M., Schaub, A.J., Kliewer, J.		Authors: Tsai, SC., Keasling, J.D., Luo, R., Barajas, J.F., Phelan, R.M., Schaub, A.J., Kliewer, J.

	Description: The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway		Description: The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway