5clo - Revision history

OCA at 11:21, 10 January 2024

2024-01-10T11:21:01Z

←Older revision		Revision as of 11:21, 10 January 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5clo]] is a 18 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CLO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CLO FirstGlance]. <br>		<table><tr><td colspan='2'>[[5clo]] is a 18 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CLO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CLO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NS8:TRANS+BETA+NITROSTYRENE'>NS8</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.3Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NS8:TRANS+BETA+NITROSTYRENE'>NS8</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=5clo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5clo OCA], [https://pdbe.org/5clo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5clo RCSB], [https://www.ebi.ac.uk/pdbsum/5clo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5clo 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=5clo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5clo OCA], [https://pdbe.org/5clo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5clo RCSB], [https://www.ebi.ac.uk/pdbsum/5clo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5clo ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:13, 14 June 2023

2023-06-14T12:13:35Z

←Older revision		Revision as of 12:13, 14 June 2023
Line 3:		Line 3:
	<StructureSection load='5clo' size='340' side='right'caption='[[5clo]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='5clo' size='340' side='right'caption='[[5clo]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5clo]] is a 18 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CLO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5CLO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5clo]] is a 18 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_putida Pseudomonas putida]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CLO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CLO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NS8:TRANS+BETA+NITROSTYRENE'>NS8</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NS8:TRANS+BETA+NITROSTYRENE'>NS8</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">xylH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 "Bacillus fluorescens putidus" Flugge 1886])</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=5clo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5clo OCA], [https://pdbe.org/5clo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5clo RCSB], [https://www.ebi.ac.uk/pdbsum/5clo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5clo ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/2-hydroxymuconate_tautomerase 2-hydroxymuconate tautomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.2.6 5.3.2.6] </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=5clo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5clo OCA], [~~http~~://pdbe.org/5clo PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5clo RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5clo PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5clo ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/4OT1_PSEPU 4OT1_PSEPU]] Catalyzes the ketonization of 2-hydroxymuconate stereoselectively to yield 2-oxo-3-hexenedioate.<ref>PMID:1339435</ref>	+	[https://www.uniprot.org/uniprot/4OT1_PSEPU 4OT1_PSEPU] Catalyzes the ketonization of 2-hydroxymuconate stereoselectively to yield 2-oxo-3-hexenedioate.<ref>PMID:1339435</ref>
	<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: Bacillus fluorescens putidus flugge 1886]]
-	[[Category: 2-hydroxymuconate tautomerase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Poddar, H~~]]	+	[[Category: Pseudomonas putida]]
-	[[Category: ~~Thunnissen, A M.W~~ H]]	+	[[Category: Poddar H]]
-	[[Category: ~~4-oxalocrotonate tautomerase]]~~	+	[[Category: Thunnissen AMWH]]
-	~~[[Category: Beta-alpha-beta structural motif]]~~	+
-	~~[[Category: Isomerase]]~~	+
-	~~[[Category: Tautomerase superfamily~~]]	+

OCA at 11:43, 27 March 2020

2020-03-27T11:43:46Z

←Older revision		Revision as of 11:43, 27 March 2020
Line 1:		Line 1:

	==Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom==		==Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom==
-	<StructureSection load='5clo' size='340' side='right' caption='[[5clo]], [[Resolution\|resolution]] 2.30Å' scene=''>	+	<StructureSection load='5clo' size='340' side='right'caption='[[5clo]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5clo]] is a 18 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CLO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CLO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5clo]] is a 18 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_fluorescens_putidus"_flugge_1886 "bacillus fluorescens putidus" flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CLO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CLO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NS8:TRANS+BETA+NITROSTYRENE'>NS8</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NS8:TRANS+BETA+NITROSTYRENE'>NS8</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">xylH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=303 "Bacillus fluorescens putidus" Flugge 1886])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/2-hydroxymuconate_tautomerase 2-hydroxymuconate tautomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.2.6 5.3.2.6] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/2-hydroxymuconate_tautomerase 2-hydroxymuconate tautomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.2.6 5.3.2.6] </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=5clo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5clo OCA], [http://pdbe.org/5clo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5clo RCSB], [http://www.ebi.ac.uk/pdbsum/5clo 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=5clo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5clo OCA], [http://pdbe.org/5clo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5clo RCSB], [http://www.ebi.ac.uk/pdbsum/5clo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5clo ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacillus fluorescens putidus flugge 1886]]
	[[Category: 2-hydroxymuconate tautomerase]]		[[Category: 2-hydroxymuconate tautomerase]]
		+	[[Category: Large Structures]]
	[[Category: Poddar, H]]		[[Category: Poddar, H]]
	[[Category: Thunnissen, A M.W H]]		[[Category: Thunnissen, A M.W H]]

OCA at 19:47, 10 May 2016

2016-05-10T19:47:54Z

←Older revision		Revision as of 19:47, 10 May 2016
Line 10:		Line 10:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/4OT1_PSEPU 4OT1_PSEPU]] Catalyzes the ketonization of 2-hydroxymuconate stereoselectively to yield 2-oxo-3-hexenedioate.<ref>PMID:1339435</ref>		[[http://www.uniprot.org/uniprot/4OT1_PSEPU 4OT1_PSEPU]] Catalyzes the ketonization of 2-hydroxymuconate stereoselectively to yield 2-oxo-3-hexenedioate.<ref>PMID:1339435</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The Michael-type addition reaction is widely used in organic synthesis for carbon-carbon bond formation. However, biocatalytic methodologies for this type of reaction are scarce, which is related to the fact that enzymes naturally catalysing carbon-carbon bond-forming Michael-type additions are rare. A promising template to develop new biocatalysts for carbon-carbon bond formation is the enzyme 4-oxalocrotonate tautomerase, which exhibits promiscuous Michael-type addition activity. Here we present mutability landscapes for the expression, tautomerase and Michael-type addition activities, and enantioselectivity of 4-oxalocrotonate tautomerase. These maps of neutral, beneficial and detrimental amino acids for each residue position and enzyme property provide detailed insight into sequence-function relationships. This offers exciting opportunities for enzyme engineering, which is illustrated by the redesign of 4-oxalocrotonate tautomerase into two enantiocomplementary 'Michaelases'. These 'Michaelases' catalyse the asymmetric addition of acetaldehyde to various nitroolefins, providing access to both enantiomers of gamma-nitroaldehydes, which are important precursors for pharmaceutically active gamma-aminobutyric acid derivatives.
		+
		+	Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.,van der Meer JY, Poddar H, Baas BJ, Miao Y, Rahimi M, Kunzendorf A, van Merkerk R, Tepper PG, Geertsema EM, Thunnissen AM, Quax WJ, Poelarends GJ Nat Commun. 2016 Mar 8;7:10911. doi: 10.1038/ncomms10911. PMID:26952338<ref>PMID:26952338</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5clo" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 03:53, 10 March 2016

2016-03-10T03:53:22Z

←Older revision		Revision as of 03:53, 10 March 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5clo is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom==
-		+	<StructureSection load='5clo' size='340' side='right' caption='[[5clo]], [[Resolution\|resolution]] 2.30Å' scene=''>
-	~~Authors~~: ~~Thunnissen~~, A.M.W.H., ~~Poddar~~, H.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5clo]] is a 18 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CLO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CLO FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure~~ of ~~a 4~~-~~oxalocrotonate tautomerase mutant in complex with nitrostyrene at~~ 2.3 ~~Angstrom~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NS8:TRANS+BETA+NITROSTYRENE'>NS8</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/2-hydroxymuconate_tautomerase 2-hydroxymuconate tautomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.2.6 5.3.2.6] </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=5clo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5clo OCA], [http://pdbe.org/5clo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5clo RCSB], [http://www.ebi.ac.uk/pdbsum/5clo PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/4OT1_PSEPU 4OT1_PSEPU]] Catalyzes the ketonization of 2-hydroxymuconate stereoselectively to yield 2-oxo-3-hexenedioate.<ref>PMID:1339435</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: 2-hydroxymuconate tautomerase]]
	[[Category: Poddar, H]]		[[Category: Poddar, H]]
-	[[Category: Thunnissen, A.M.W.H]]	+	[[Category: Thunnissen, A M.W H]]
		+	[[Category: 4-oxalocrotonate tautomerase]]
		+	[[Category: Beta-alpha-beta structural motif]]
		+	[[Category: Isomerase]]
		+	[[Category: Tautomerase superfamily]]

OCA at 10:36, 16 December 2015

2015-12-16T10:36:32Z

←Older revision		Revision as of 10:36, 16 December 2015
Line 7:		Line 7:
	Description: Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom		Description: Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Thunnissen, A.M.W.H]]
	[[Category: Poddar, H]]		[[Category: Poddar, H]]
		+	[[Category: Thunnissen, A.M.W.H]]

OCA: Protected "5clo" [edit=sysop:move=sysop]

2015-07-22T13:18:54Z

Protected "5clo" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:18, 22 July 2015

OCA: New page: '''Unreleased structure''' The entry 5clo is ON HOLD until Paper Publication Authors: Thunnissen, A.M.W.H., Poddar, H. Description: Crystal structure of a 4-oxalocrotonate tautomerase ...

2015-07-22T13:18:53Z

New page: '''Unreleased structure''' The entry 5clo is ON HOLD until Paper Publication Authors: Thunnissen, A.M.W.H., Poddar, H. Description: Crystal structure of a 4-oxalocrotonate tautomerase ...

New page

'''Unreleased structure'''

The entry 5clo is ON HOLD until Paper Publication

Authors: Thunnissen, A.M.W.H., Poddar, H.

Description: Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
[[Category: Unreleased Structures]]
[[Category: Thunnissen, A.M.W.H]]
[[Category: Poddar, H]]