2wk9

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[[Image:2wk9.png|left|200px]]
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==STRUCTURE OF PLP_THR ALDIMINE FORM OF VIBRIO CHOLERAE CQSA==
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<StructureSection load='2wk9' size='340' side='right' caption='[[2wk9]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2wk9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Vibrio_cholerae_o1_biovar_el_tor Vibrio cholerae o1 biovar el tor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WK9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WK9 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</scene>, <scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2wk7|2wk7]], [[2wka|2wka]], [[2wk8|2wk8]]</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2wk9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wk9 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wk9 RCSB], [http://www.ebi.ac.uk/pdbsum/2wk9 PDBsum]</span></td></tr>
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<table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wk/2wk9_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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CqsA is an enzyme involved in the biosynthesis of cholerae autoinducer-1 (CAI-1), the major Vibrio cholerae autoinducer engaged in quorum sensing. The amino acid sequence of CqsA suggests that it belongs to the family of alpha-oxoamine synthases that catalyse the condensation of an amino acid to an acyl-CoA substrate. Here we present the apo- and PLP-bound crystal structures of CqsA and confirm that it shares structural homology with the dimeric alpha-oxoamine synthases, including a conserved PLP-binding site. The chemical structure of CAI-1 suggests that decanoyl-CoA may be one substrate of CqsA and that another substrate may be l-threonine or l-2-aminobutyric acid. A crystal structure of CqsA at 1.9-A resolution obtained in the presence of PLP and l-threonine reveals an external aldimine that has lost the l-threonine side chain. Similarly, a 1.9-A-resolution crystal structure of CqsA in the presence of PLP, l-threonine, and decanoyl-CoA shows a trapped external aldimine intermediate, suggesting that the condensation and decarboxylation steps have occurred, again with loss of the l-threonine side chain. It is suggested that this side-chain loss, an observation supported by mass spectrometry, is due to a retro-aldol reaction. Although no structural data have been obtained on CqsA using l-2-aminobutyric acid and decanoyl-CoA as substrates, mass spectrometry confirms the expected product of the enzyme reaction. It is proposed that a region of structure that is disordered in the apo structure is involved in the release of product. While not confirming if CqsA alone is able to synthesize CAI-1, these results suggest possible synthetic routes.
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{{STRUCTURE_2wk9| PDB=2wk9 | SCENE= }}
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Insights into the biosynthesis of the Vibrio cholerae major autoinducer CAI-1 from the crystal structure of the PLP-dependent enzyme CqsA.,Jahan N, Potter JA, Sheikh MA, Botting CH, Shirran SL, Westwood NJ, Taylor GL J Mol Biol. 2009 Sep 25;392(3):763-73. Epub 2009 Jul 22. PMID:19631226<ref>PMID:19631226</ref>
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===STRUCTURE OF PLP_THR ALDIMINE FORM OF VIBRIO CHOLERAE CQSA===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_19631226}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[2wk9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Vibrio_cholerae_o1_biovar_el_tor Vibrio cholerae o1 biovar el tor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WK9 OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:019631226</ref><references group="xtra"/>
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[[Category: Vibrio cholerae o1 biovar el tor]]
[[Category: Vibrio cholerae o1 biovar el tor]]
[[Category: Botting, C H.]]
[[Category: Botting, C H.]]

Revision as of 02:09, 1 October 2014

STRUCTURE OF PLP_THR ALDIMINE FORM OF VIBRIO CHOLERAE CQSA

2wk9, resolution 1.90Å

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