3lt5: Difference between revisions
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==X-ray Crystallographic structure of a Pseudomonas Aeruginosa Azoreductase in complex with balsalazide== | |||
<StructureSection load='3lt5' size='340' side='right' caption='[[3lt5]], [[Resolution|resolution]] 2.30Å' scene=''> | |||
{ | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3lt5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3LT5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3LT5 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BLQ:(3E)-3-({4-[(2-CARBOXYETHYL)CARBAMOYL]PHENYL}HYDRAZONO)-6-OXOCYCLOHEXA-1,4-DIENE-1-CARBOXYLIC+ACID'>BLQ</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2v9c|2v9c]], [[3keg|3keg]]</td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PAO785 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 Pseudomonas aeruginosa])</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=3lt5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3lt5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3lt5 RCSB], [http://www.ebi.ac.uk/pdbsum/3lt5 PDBsum]</span></td></tr> | |||
</table> | |||
== Evolutionary Conservation == | |||
[[Image:Consurf_key_small.gif|200px|right]] | |||
Check<jmol> | |||
<jmolCheckbox> | |||
<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/lt/3lt5_consurf.spt"</scriptWhenChecked> | |||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | |||
<text>to colour the structure by Evolutionary Conservation</text> | |||
</jmolCheckbox> | |||
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf]. | |||
<div style="clear:both"></div> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Azoreductases are important due to their ability to activate anti-inflammatory azo pro-drugs and to detoxify azo dyes. Three genes encoding azoreductases have been identified in Pseudomonas aeruginosa. We describe here a comparison of the three enzymes. The pure recombinant proteins each have a distinct substrate specificity profile against a range of azo substrates. Using the structure of P. aeruginosa azoreductase (paAzoR) 1 and the homology models of paAzoR2 and paAzoR3, we have identified residues important for substrate specificity. We have defined a novel flavin mononucleotide binding cradle, which is a recurrent motif in many flavodoxin-like proteins. A novel structure of paAzoR1 with the azo pro-drug balsalazide bound within the active site was determined by X-ray crystallography and demonstrates that the substrate is present in a hydrazone tautomer conformation. We propose that the structure with balsalazide bound represents an enzyme intermediate and, together with the flavin mononucleotide binding cradle, we propose a novel catalytic mechanism. | |||
A novel mechanism for azoreduction.,Ryan A, Laurieri N, Westwood I, Wang CJ, Lowe E, Sim E J Mol Biol. 2010 Jul 2;400(1):24-37. Epub 2010 Apr 24. PMID:20417637<ref>PMID:20417637</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
== References == | |||
== | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Pseudomonas aeruginosa]] | [[Category: Pseudomonas aeruginosa]] | ||
[[Category: Laurieri, N | [[Category: Laurieri, N]] | ||
[[Category: Lowe, E | [[Category: Lowe, E]] | ||
[[Category: Ryan, A | [[Category: Ryan, A]] | ||
[[Category: Sim, E | [[Category: Sim, E]] | ||
[[Category: Wang, C J | [[Category: Wang, C J]] | ||
[[Category: Westwood, I | [[Category: Westwood, I]] | ||
[[Category: Azoreductase]] | [[Category: Azoreductase]] | ||
[[Category: Balsalazide]] | [[Category: Balsalazide]] | ||
Revision as of 15:33, 18 December 2014
X-ray Crystallographic structure of a Pseudomonas Aeruginosa Azoreductase in complex with balsalazide
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