View source for 4tqx


==Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone.==
<StructureSection load='4tqx' size='340' side='right'caption='[[4tqx]], [[Resolution|resolution]] 1.37&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4tqx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptococcus_mutans Streptococcus mutans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TQX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4TQX FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.37&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=4tqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tqx OCA], [https://pdbe.org/4tqx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4tqx RCSB], [https://www.ebi.ac.uk/pdbsum/4tqx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4tqx ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q8CM62_STRMG Q8CM62_STRMG] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Sortase A (SrtA) from Gram positive pathogens is an attractive target for inhibitors due to its role in the attachment of surface proteins to the cell wall. We found that the plant natural product trans-chalcone inhibits Streptococcus mutans SrtA in vitro and also inhibited S. mutans biofilm formation. Mass spectrometry revealed that the trans-chalcone forms a Michael addition adduct with the active site cysteine. The X-ray crystal structure of the SrtA H139A mutant provided new insights into substrate recognition by the sortase family. Our study suggests that chalcone flavonoids have potential as sortase-specific oral biofilm inhibitors.

Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.,Wallock-Richards DJ, Marles-Wright J, Clarke DJ, Maitra A, Dodds M, Hanley B, Campopiano DJ Chem Commun (Camb). 2015 Jun 16;51(52):10483-5. doi: 10.1039/c5cc01816a. PMID:26029850<ref>PMID:26029850</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4tqx" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Streptococcus mutans]]
[[Category: Campopiano DJ]]
[[Category: Clarke DJ]]
[[Category: Dodds M]]
[[Category: Hanley B]]
[[Category: Maitra A]]
[[Category: Marles-Wright J]]
[[Category: Wallock-Richards DJ]]