5daq - Revision history

OCA at 11:25, 10 January 2024

2024-01-10T11:25:29Z

←Older revision		Revision as of 11:25, 10 January 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5daq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_nidulans_FGSC_A4 Aspergillus nidulans FGSC A4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DAQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5DAQ FirstGlance]. <br>		<table><tr><td colspan='2'>[[5daq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_nidulans_FGSC_A4 Aspergillus nidulans FGSC A4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DAQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5DAQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=58D:(3S)-3-(4-METHOXYBENZYL)-4-METHYL-3,4-DIHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE'>58D</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</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]] 1.7Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=58D:(3S)-3-(4-METHOXYBENZYL)-4-METHYL-3,4-DIHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE'>58D</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</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=5daq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5daq OCA], [https://pdbe.org/5daq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5daq RCSB], [https://www.ebi.ac.uk/pdbsum/5daq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5daq 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=5daq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5daq OCA], [https://pdbe.org/5daq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5daq RCSB], [https://www.ebi.ac.uk/pdbsum/5daq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5daq ProSAT]</span></td></tr>
	</table>		</table>

OCA at 10:28, 21 June 2023

2023-06-21T10:28:37Z

←Older revision		Revision as of 10:28, 21 June 2023
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	<StructureSection load='5daq' size='340' side='right'caption='[[5daq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='5daq' size='340' side='right'caption='[[5daq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5daq]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Aspergillus_nidulans~~ Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DAQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5DAQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5daq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_nidulans_FGSC_A4 Aspergillus nidulans FGSC A4]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DAQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5DAQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=58D:(3S)-3-(4-METHOXYBENZYL)-4-METHYL-3,4-DIHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE'>58D</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=58D:(3S)-3-(4-METHOXYBENZYL)-4-METHYL-3,4-DIHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE'>58D</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dap\|5dap]]</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=5daq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5daq OCA], [https://pdbe.org/5daq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5daq RCSB], [https://www.ebi.ac.uk/pdbsum/5daq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5daq ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AN9227.2, ANIA_09227 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227321 Aspergillus nidulans])</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=5daq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5daq OCA], [~~http~~://pdbe.org/5daq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5daq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5daq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5daq ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/ASQJ_EMENI ASQJ_EMENI] Iron/alpha-ketoglutarate-dependent dioxygenase; part of the gene cluster that mediates the biosynthesis of the aspoquinolone mycotoxins (PubMed:25251934, PubMed:26553478). The first stage is catalyzed by the nonribosomal pepdide synthetase asqK that condenses anthranilic acid and O-methyl-L-tyrosine to produce 4'-methoxycyclopeptin (PubMed:25251934). AsqK is also able to use anthranilic acid and L-phenylalanine as substrates to produce cyclopeptin, but at a tenfold lower rate (PubMed:25251934). 4'-methoxycyclopeptin is then converted to 4'-methoxydehydrocyclopeptin by the ketoglutarate-dependent dioxygenase asqJ through dehydrogenation to form a double bond between C-alpha and C-beta of the O-methyltyrosine side chain (PubMed:25251934, PubMed:26553478). AsqJ also converts its first product 4'-methoxydehydrocyclopeptin to 4'-methoxycyclopenin (PubMed:25251934). AsqJ is a very unique dioxygenase which is capable of catalyzing radical-mediated dehydrogenation and epoxidation reactions sequentially on a 6,7-benzo-diazepinedione substrate in the 4'-methoxyviridicatin biosynthetic pathway (PubMed:25251934). The following conversion of 4'-methoxycyclopenin into 4'-methoxyviridicatin proceeds non-enzymatically (PubMed:25251934). AsqJ is also capable of converting cyclopeptin into dehydrocyclopeptin and cyclopenin in a sequential fashion (PubMed:25251934). Cyclopenin can be converted into viridicatin non-enzymatically (PubMed:25251934). 4'-methoxyviridicatin likely acts as a precursor of quinolone natural products, such as aspoquinolones, peniprequinolones, penigequinolones, and yaequinolones (PubMed:25251934). Further characterization of the remaining genes in the cluster has still to be done to determine the exact identity of quinolone products this cluster is responsible for biosynthesizing (PubMed:25251934).<ref>PMID:25251934</ref> <ref>PMID:26553478</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 5daq" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5daq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dioxygenase 3D structures\|Dioxygenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Aspergillus nidulans]]	+	[[Category: Aspergillus nidulans FGSC A4]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Braeuer, A]]	+	[[Category: Braeuer A]]
-	[[Category: Groll, M]]	+	[[Category: Groll M]]
-	~~[[Category: 4-methoxycyclopeptine]]~~	+
-	~~[[Category: Alkaloid]]~~	+
-	~~[[Category: Antibiotic]]~~	+
-	~~[[Category: Biosynthesis]]~~	+
-	~~[[Category: Desaturase]]~~	+
-	~~[[Category: Epoxidase]]~~	+
-	~~[[Category: Fragmentation]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Viridicatin~~]]	+

OCA at 07:57, 8 April 2020

2020-04-08T07:57:40Z

←Older revision		Revision as of 07:57, 8 April 2020
Line 1:		Line 1:
		+
	==Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptin==		==Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptin==
-	<StructureSection load='5daq' size='340' side='right' caption='[[5daq]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='5daq' size='340' side='right'caption='[[5daq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5daq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DAQ OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5DAQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5daq]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_nidulans Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DAQ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5DAQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=58D:(3S)-3-(4-METHOXYBENZYL)-4-METHYL-3,4-DIHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE'>58D</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=58D:(3S)-3-(4-METHOXYBENZYL)-4-METHYL-3,4-DIHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE'>58D</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dap\|5dap]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dap\|5dap]]</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=5daq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5daq OCA], [http://pdbe.org/5daq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5daq RCSB], [http://www.ebi.ac.uk/pdbsum/5daq PDBsum]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AN9227.2, ANIA_09227 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227321 Aspergillus nidulans])</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=5daq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5daq OCA], [http://pdbe.org/5daq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5daq RCSB], [http://www.ebi.ac.uk/pdbsum/5daq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5daq ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 20:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Aspergillus nidulans]]
		+	[[Category: Large Structures]]
	[[Category: Braeuer, A]]		[[Category: Braeuer, A]]
	[[Category: Groll, M]]		[[Category: Groll, M]]

OCA at 04:31, 1 December 2015

2015-12-01T04:31:42Z

←Older revision		Revision as of 04:31, 1 December 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptin==
		+	<StructureSection load='5daq' size='340' side='right' caption='[[5daq]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5daq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DAQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5DAQ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=58D:(3S)-3-(4-METHOXYBENZYL)-4-METHYL-3,4-DIHYDRO-1H-1,4-BENZODIAZEPINE-2,5-DIONE'>58D</scene>, <scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dap\|5dap]]</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=5daq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5daq OCA], [http://pdbe.org/5daq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5daq RCSB], [http://www.ebi.ac.uk/pdbsum/5daq PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Multienzymatic cascades are responsible for the biosynthesis of natural products and represent a source of inspiration for synthetic chemists. The FeII /alpha-ketoglutarate-dependent dioxygenase AsqJ from Aspergillus nidulans is outstanding because it stereoselectively catalyzes both a ferryl-induced desaturation reaction and epoxidation on a benzodiazepinedione. Interestingly, the enzymatically formed spiro epoxide spring-loads the 6,7-bicyclic skeleton for non-enzymatic rearrangement into the 6,6-bicyclic scaffold of the quinolone alkaloid 4'-methoxyviridicatin. Herein, we report different crystal structures of the protein in the absence and presence of synthesized substrates, surrogates, and intermediates that mimic the various stages of the reaction cycle of this exceptional dioxygenase.

-	~~The entry 5daq is ON HOLD until Paper Publication~~	+	Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.,Brauer A, Beck P, Hintermann L, Groll M Angew Chem Int Ed Engl. 2015 Nov 10. doi: 10.1002/anie.201507835. PMID:26553478<ref>PMID:26553478</ref>

-	~~Authors: Groll~~, M.~~, Braeuer, A~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Fe(II)~~/~~(alpha)ketoglutarate~~-~~dependent dioxygenase AsqJ in complex with 4~~-~~Methoxycyclopeptin~~	+	<div class="pdbe-citations 5daq" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Braeuer, A]]
	[[Category: Groll, M]]		[[Category: Groll, M]]
-	[[Category: ~~Braeuer, A~~]]	+	[[Category: 4-methoxycyclopeptine]]
		+	[[Category: Alkaloid]]
		+	[[Category: Antibiotic]]
		+	[[Category: Biosynthesis]]
		+	[[Category: Desaturase]]
		+	[[Category: Epoxidase]]
		+	[[Category: Fragmentation]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Viridicatin]]

OCA at 11:23, 2 September 2015

2015-09-02T11:23:04Z

←Older revision		Revision as of 11:23, 2 September 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5daq is ON HOLD	+	The entry 5daq is ON HOLD until Paper Publication

	Authors: Groll, M., Braeuer, A.		Authors: Groll, M., Braeuer, A.

-	Description: Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-~~Methoxycyclopeptine~~	+	Description: Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptin
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Groll, M]]		[[Category: Groll, M]]
	[[Category: Braeuer, A]]		[[Category: Braeuer, A]]

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

2015-08-26T12:40:33Z

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

←Older revision

Revision as of 12:40, 26 August 2015

OCA: New page: '''Unreleased structure''' The entry 5daq is ON HOLD Authors: Groll, M., Braeuer, A. Description: Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclop...

2015-08-26T12:40:32Z

New page: '''Unreleased structure''' The entry 5daq is ON HOLD Authors: Groll, M., Braeuer, A. Description: Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclop...

New page

'''Unreleased structure'''

The entry 5daq is ON HOLD

Authors: Groll, M., Braeuer, A.

Description: Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptine
[[Category: Unreleased Structures]]
[[Category: Groll, M]]
[[Category: Braeuer, A]]