6e2a: Difference between revisions
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==Crystal structure of NADH:quinone reductase PA1024 from Pseudomonas aeruginosa PAO1 in complex with NAD+== | |||
<StructureSection load='6e2a' size='340' side='right'caption='[[6e2a]], [[Resolution|resolution]] 2.20Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6e2a]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseae Pseae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6E2A OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6E2A FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PA1024 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitronate_monooxygenase Nitronate monooxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.16 1.13.12.16] </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=6e2a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6e2a OCA], [http://pdbe.org/6e2a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6e2a RCSB], [http://www.ebi.ac.uk/pdbsum/6e2a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6e2a ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[[http://www.uniprot.org/uniprot/2NPD_PSEAE 2NPD_PSEAE]] Catalyzes the oxidative denitrification of nitronates to their corresponding aldehydes and nitrites.<ref>PMID:16682407</ref> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The crystal structure of the NADH:quinone oxidoreductase PA1024 has been solved in complex with NAD(+) to 2.2 A resolution. The nicotinamide C4 is 3.6 A from the FMN N5 atom, with a suitable orientation for facile hydride transfer. NAD(+) binds in a folded conformation at the interface of the TIM-barrel domain and the extended domain of the enzyme. Comparison of the enzyme-NAD(+) structure with that of the ligand-free enzyme revealed a different conformation of a short loop (75-86) that is part of the NAD(+) -binding pocket. P78, P82, and P84 provide internal rigidity to the loop, whereas Q80 serves as an active site latch that secures the NAD(+) within the binding pocket. An interrupted helix consisting of two alpha-helices connected by a small three-residue loop binds the pyrophosphate moiety of NAD(+) . The adenine moiety of NAD(+) appears to pi-pi stack with Y261. Steric constraints between the adenosine ribose of NAD(+) , P78, and Q80, control the strict specificity of the enzyme for NADH. Charged residues do not play a role in the specificity of PA1024 for the NADH substrate. | |||
Steric hindrance controls pyridine nucleotide specificity of a flavin-dependent NADH:quinone oxidoreductase.,Ball J, Reis RAG, Agniswamy J, Weber IT, Gadda G Protein Sci. 2019 Jan;28(1):167-175. doi: 10.1002/pro.3514. Epub 2018 Oct 31. PMID:30246917<ref>PMID:30246917</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 6e2a" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Monooxygenase 3D structures|Monooxygenase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Nitronate monooxygenase]] | |||
[[Category: Pseae]] | |||
[[Category: Agniswamy, J]] | |||
[[Category: Ball, J]] | |||
[[Category: Gadda, G]] | |||
[[Category: Reis, R A.G]] | |||
[[Category: Weber, I]] | |||
[[Category: Flavoprotein]] | |||
[[Category: Nad+ complex]] | |||
[[Category: Nadh:quinone reductase]] | |||
[[Category: Oxidative stress]] | |||
[[Category: Oxidoreductase]] | |||
[[Category: Quinone]] | |||
Revision as of 08:37, 27 November 2019
Crystal structure of NADH:quinone reductase PA1024 from Pseudomonas aeruginosa PAO1 in complex with NAD+
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