5j7x - Revision history

OCA at 10:52, 6 September 2023

OCA — Wed, 06 Sep 2023 10:52:45 GMT

←Older revision		Revision as of 10:52, 6 September 2023
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	<StructureSection load='5j7x' size='340' side='right'caption='[[5j7x]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='5j7x' size='340' side='right'caption='[[5j7x]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5j7x]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Aspfl Aspfl~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J7X OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5J7X FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5j7x]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_flavus Aspergillus flavus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J7X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5J7X FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</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]] 1.9Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AFLA_016370 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5059 ASPFL])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5j7x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j7x OCA], [~~http~~://pdbe.org/5j7x PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5j7x RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5j7x PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5j7x 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=5j7x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j7x OCA], [https://pdbe.org/5j7x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5j7x RCSB], [https://www.ebi.ac.uk/pdbsum/5j7x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5j7x ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/B8N653_ASPFN B8N653_ASPFN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Aspfl~~]]	+	[[Category: Aspergillus flavus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ferroni~~, F M~~]]	+	[[Category: Ferroni FM]]
-	[[Category: Opperman~~, D J~~]]	+	[[Category: Opperman DJ]]
-	[[Category: Smit~~, M S~~]]	+	[[Category: Smit MS]]
-	[[Category: Tolmie, C]]	+	[[Category: Tolmie C]]
-	~~[[Category: Baeyer-villiger monooxygenase]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 07:32, 10 June 2020

OCA — Wed, 10 Jun 2020 07:32:40 GMT

←Older revision		Revision as of 07:32, 10 June 2020
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	==Baeyer-Villiger monooxygenase BVMOAFL838 from Aspergillus flavus==		==Baeyer-Villiger monooxygenase BVMOAFL838 from Aspergillus flavus==
-	<StructureSection load='5j7x' size='340' side='right' caption='[[5j7x]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='5j7x' size='340' side='right'caption='[[5j7x]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5j7x]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J7X OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5J7X FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5j7x]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfl Aspfl]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J7X OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5J7X FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></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=5j7x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j7x OCA], [http://pdbe.org/5j7x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j7x RCSB], [http://www.ebi.ac.uk/pdbsum/5j7x PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j7x ProSAT]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AFLA_016370 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5059 ASPFL])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5j7x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j7x OCA], [http://pdbe.org/5j7x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j7x RCSB], [http://www.ebi.ac.uk/pdbsum/5j7x PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j7x ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aspfl]]
		+	[[Category: Large Structures]]
	[[Category: Ferroni, F M]]		[[Category: Ferroni, F M]]
	[[Category: Opperman, D J]]		[[Category: Opperman, D J]]

OCA at 15:48, 10 August 2016

OCA — Wed, 10 Aug 2016 15:48:51 GMT

←Older revision		Revision as of 15:48, 10 August 2016
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-	'''Unreleased structure'''

-	~~The entry~~ 5j7x is ~~ON HOLD until Paper~~ Publication	+	==Baeyer-Villiger monooxygenase BVMOAFL838 from Aspergillus flavus==
		+	<StructureSection load='5j7x' size='340' side='right' caption='[[5j7x]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5j7x]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J7X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5J7X FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TAM:TRIS(HYDROXYETHYL)AMINOMETHANE'>TAM</scene></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=5j7x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j7x OCA], [http://pdbe.org/5j7x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j7x RCSB], [http://www.ebi.ac.uk/pdbsum/5j7x PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j7x ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Baeyer-Villiger monooxygenases (BVMOs) are biocatalysts that convert ketones to esters. Due to their high regio-, stereo- and enantioselectivity and ability to catalyse these reactions under mild conditions, they have gained interest as alternatives to chemical Baeyer-Villiger catalysts. Despite their widespread occurrence within the fungal kingdom, most of the currently characterized BVMOs are from bacterial origin. Here we report the catalytic and structural characterization of BVMOAFL838 from Aspergillus flavus. BVMOAFL838 converts linear and aryl ketones with high regioselectivity. Steady-state kinetics revealed BVMOAFL838 to show significant substrate inhibition with phenylacetone, which was more pronounced at low pH, enzyme and buffer concentrations. Para substitutions on the phenyl group significantly improved substrate affinity and increased turnover frequencies. Steady-state kinetics revealed BVMOAFL838 to preferentially oxidize aliphatic ketones and aryl ketones when the phenyl group are separated by at least two carbons from the carbonyl group. The X-ray crystal structure, the first of a fungal BVMO, was determined at 1.9 A and revealed the typical overall fold seen in type I bacterial BVMOs. The active site Arg and Asp are conserved, with the Arg found in the "in" position. Similar to phenylacetone monooxygenase (PAMO), a two residue insert relative to cyclohexanone monooxygenase (CHMO) forms a bulge within the active site. Approximately half of the "variable" loop is folded into a short alpha-helix and covers part of the active site entry channel in the non-NADPH bound structure. This study adds to the current efforts to rationalize the substrate scope of BVMOs through comparative catalytic and structural investigation of different BVMOs.

-	~~Authors~~:	+	Structural and Catalytic Characterization of a Fungal Baeyer-Villiger Monooxygenase.,Ferroni FM, Tolmie C, Smit MS, Opperman DJ PLoS One. 2016 Jul 29;11(7):e0160186. doi: 10.1371/journal.pone.0160186., eCollection 2016. PMID:27472055<ref>PMID:27472055</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5j7x" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Ferroni, F M]]
		+	[[Category: Opperman, D J]]
		+	[[Category: Smit, M S]]
		+	[[Category: Tolmie, C]]
		+	[[Category: Baeyer-villiger monooxygenase]]
		+	[[Category: Oxidoreductase]]

OCA at 15:09, 15 May 2016

OCA — Sun, 15 May 2016 15:09:10 GMT

←Older revision		Revision as of 15:09, 15 May 2016
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	The entry 5j7x is ON HOLD until Paper Publication		The entry 5j7x is ON HOLD until Paper Publication

-	Authors: ~~Ferroni, F.M., Tolmie, C., Smit, M.S., Opperman, D.J.~~	+	Authors:

	Description:		Description:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Opperman, D.J]]
-	[[Category: Tolmie, C]]
-	[[Category: Ferroni, F.M]]
-	[[Category: Smit, M.S]]

OCA: Protected "5j7x" [edit=sysop:move=sysop]

OCA — Wed, 11 May 2016 01:38:53 GMT

Protected "5j7x" [edit=sysop:move=sysop]

←Older revision

Revision as of 01:38, 11 May 2016

OCA: New page: '''Unreleased structure''' The entry 5j7x is ON HOLD until Paper Publication Authors: Ferroni, F.M., Tolmie, C., Smit, M.S., Opperman, D.J. Description: [[Category: Unreleased Structu...

OCA — Wed, 11 May 2016 01:38:52 GMT

New page: '''Unreleased structure''' The entry 5j7x is ON HOLD until Paper Publication Authors: Ferroni, F.M., Tolmie, C., Smit, M.S., Opperman, D.J. Description: [[Category: Unreleased Structu...

New page

'''Unreleased structure'''

The entry 5j7x is ON HOLD until Paper Publication

Authors: Ferroni, F.M., Tolmie, C., Smit, M.S., Opperman, D.J.

Description:
[[Category: Unreleased Structures]]
[[Category: Opperman, D.J]]
[[Category: Tolmie, C]]
[[Category: Ferroni, F.M]]
[[Category: Smit, M.S]]