6rr3 - Revision history

OCA at 12:26, 24 January 2024

OCA — Wed, 24 Jan 2024 12:26:46 GMT

←Older revision		Revision as of 12:26, 24 January 2024
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	<StructureSection load='6rr3' size='340' side='right'caption='[[6rr3]], [[Resolution\|resolution]] 1.69Å' scene=''>		<StructureSection load='6rr3' size='340' side='right'caption='[[6rr3]], [[Resolution\|resolution]] 1.69Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6rr3]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RR3 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6RR3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6rr3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Brucella_ovis_ATCC_25840 Brucella ovis ATCC 25840]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RR3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6RR3 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>~~</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]] 1.69Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks'>[http~~:~~//en.wikipedia.org/wiki/Ferredoxin~~-~~-NADP(~~+~~)_reductase Ferredoxin--NADP(+) reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.18.1.2 1.18.1.2]~~ </~~span~~></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></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=6rr3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rr3 OCA], [~~http~~://pdbe.org/6rr3 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6rr3 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6rr3 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6rr3 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=6rr3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rr3 OCA], [https://pdbe.org/6rr3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6rr3 RCSB], [https://www.ebi.ac.uk/pdbsum/6rr3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6rr3 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H3ASL8_BRUO2 A0A0H3ASL8_BRUO2]
	<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: Brucella ovis ATCC 25840]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Martinez-Julvez, M]]	+	[[Category: Martinez-Julvez M]]
-	[[Category: Medina, M]]	+	[[Category: Medina M]]
-	[[Category: Taleb, V]]	+	[[Category: Taleb V]]
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 06:11, 21 August 2019

OCA — Wed, 21 Aug 2019 06:11:45 GMT

←Older revision		Revision as of 06:11, 21 August 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6rr3 is ~~ON HOLD until Paper~~ Publication	+	==CRYSTAL STRUCTURE OF FAD-CONTAINING FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS==
		+	<StructureSection load='6rr3' size='340' side='right'caption='[[6rr3]], [[Resolution\|resolution]] 1.69Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6rr3]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RR3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RR3 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></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ferredoxin--NADP(+)_reductase Ferredoxin--NADP(+) reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.18.1.2 1.18.1.2] </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=6rr3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rr3 OCA], [http://pdbe.org/6rr3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rr3 RCSB], [http://www.ebi.ac.uk/pdbsum/6rr3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rr3 ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Brucella ovis encodes a bacterial subclass 1 ferredoxin-NADP(H) reductase (BoFPR) that, by similarity with other FPRs, is expected either to deliver electrons from NADPH to the redox-based metabolism and/or to oxidize NADPH to regulate the soxRS regulon that protects bacteria against oxidative damage. Such potential roles for the pathogen survival under infection conditions make of interest to understand and to act on the BoFPR mechanism. Here, we investigate the NADP(+)/H interaction and NADPH oxidation by hydride transfer (HT) to BoFPR. Crystal structures of BoFPR in free and in complex with NADP(+) hardly differ. The latter shows binding of the NADP(+) adenosine moiety, while its redox-reactive nicotinamide protrudes towards the solvent. Nonetheless, pre-steady-state kinetics show formation of a charge-transfer complex (CTC-1) prior to the hydride transfer, as well as conversion of CTC-1 into a second charge-transfer complex (CTC-2) concomitantly with the HT event. Thus, during catalysis nicotinamide and flavin reacting rings stack. Kinetic data also identify the HT itself as the rate limiting step in the reduction of BoFPR by NADPH, as well as product release limiting the overall reaction. Using all-atom molecular dynamics simulations with a thermal effect approach we are able to visualise a potential transient catalytically competent interaction of the reacting rings. Simulations indicate that the architecture of the FAD folded conformation in BoFPR might be key in catalysis, pointing to its adenine as an element to orient the reactive atoms in conformations competent for HT.

-	~~Authors: Martinez~~-~~Julvez, M~~., Taleb, V., ~~Medina~~, M.	+	Towards the competent conformation for catalysis in the ferredoxin-NADP(+) reductase from the Brucella ovis pathogen.,Perez-Amigot D, Taleb V, Boneta S, Anoz-Carbonell E, Sebastian M, Velazquez-Campoy A, Polo V, Martinez-Julvez M, Medina M Biochim Biophys Acta Bioenerg. 2019 Aug 5:148058. doi:, 10.1016/j.bbabio.2019.148058. PMID:31394095<ref>PMID:31394095</ref>

-	~~Description: CRYSTAL STRUCTURE OF FAD~~-~~CONTAINING FERREDOXIN~~-~~NADP REDUCTASE FROM BRUCELLA OVIS~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Taleb, V~~]]	+	<div class="pdbe-citations 6rr3" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Martinez-Julvez, M]]		[[Category: Martinez-Julvez, M]]
	[[Category: Medina, M]]		[[Category: Medina, M]]
		+	[[Category: Taleb, V]]
		+	[[Category: Oxidoreductase]]

OCA at 04:42, 29 May 2019

OCA — Wed, 29 May 2019 04:42:34 GMT

←Older revision		Revision as of 04:42, 29 May 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6rr3 is ON HOLD	+	The entry 6rr3 is ON HOLD until Paper Publication

	Authors: Martinez-Julvez, M., Taleb, V., Medina, M.		Authors: Martinez-Julvez, M., Taleb, V., Medina, M.

OCA: Protected "6rr3" [edit=sysop:move=sysop]

OCA — Wed, 22 May 2019 04:23:25 GMT

Protected "6rr3" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:23, 22 May 2019

OCA: New page: '''Unreleased structure''' The entry 6rr3 is ON HOLD Authors: Martinez-Julvez, M., Taleb, V., Medina, M. Description: CRYSTAL STRUCTURE OF FAD-CONTAINING FERREDOXIN-NADP REDUCTASE FROM...

OCA — Wed, 22 May 2019 04:23:24 GMT

New page: '''Unreleased structure''' The entry 6rr3 is ON HOLD Authors: Martinez-Julvez, M., Taleb, V., Medina, M. Description: CRYSTAL STRUCTURE OF FAD-CONTAINING FERREDOXIN-NADP REDUCTASE FROM...

New page

'''Unreleased structure'''

The entry 6rr3 is ON HOLD

Authors: Martinez-Julvez, M., Taleb, V., Medina, M.

Description: CRYSTAL STRUCTURE OF FAD-CONTAINING FERREDOXIN-NADP REDUCTASE FROM BRUCELLA OVIS
[[Category: Unreleased Structures]]
[[Category: Taleb, V]]
[[Category: Martinez-Julvez, M]]
[[Category: Medina, M]]