View source for 9hbe


==The RSL - phosphonato-calix[6]arene cocrystal structure, pH 8.5==
<StructureSection load='9hbe' size='340' side='right'caption='[[9hbe]], [[Resolution|resolution]] 1.19&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9hbe]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Ralstonia_solanacearum Ralstonia solanacearum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9HBE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9HBE 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]] 1.19&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BDF:BETA-D-FRUCTOPYRANOSE'>BDF</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=9hbe FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9hbe OCA], [https://pdbe.org/9hbe PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9hbe RCSB], [https://www.ebi.ac.uk/pdbsum/9hbe PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9hbe ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A0S4TLR1_RALSL A0A0S4TLR1_RALSL] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Anionic calixarenes are useful mediators of protein assembly. In some cases, protein - calixarene cocrystallization yields multiple polymorphs. Ralstonia solanacearum lectin (RSL) cocrystallizes with p-sulfonato-calix[8]arene (sclx8) in at least four distinct pH-dependent arrangements. One of these polymorphs, occurring at pH &lt;/=4, is a cubic framework in which RSL nodes are connected by sclx8 dimers. These dimers are supramolecular synthons, occurring in distinct crystal structures. Now, we show that the discus-shaped dimer of p-phosphonato-calix[6]arene (pclx6), can replace the sclx8 dimer yielding a new assembly of RSL. Remarkably, just one type of RSL - pclx6 cocrystal was formed, irrespective of pH or crystallization condition. These results with pclx6 contrast starkly with sclx8 and suggest that the calixarene type (e.g. phosphonate versus sulfonate) dictates the synthon durability, which in turn exerts control over protein assembly and polymorph selection. Breaking the pclx6 dimer required a mutant of RSL with an affinity tag for macrocycle binding. This highly accessible, dicationic site resulted in a significantly altered and porous framework with pclx6 (but not with sclx8). Experiments with ternary mixtures of RSL, pclx6 and sclx8 provide evidence of pH-driven self-sorting. Thus, the 'mix-and-match' of protein and supramolecular synthons is a promising approach to protein crystal engineering.

Making and Breaking Supramolecular Synthons for Modular Protein Frameworks.,Mockler N, Raston C, Crowley PB Chemistry. 2025 Apr 3:e202500732. doi: 10.1002/chem.202500732. PMID:40178192<ref>PMID:40178192</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9hbe" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Ralstonia solanacearum]]
[[Category: Crowley PB]]
[[Category: Mockler NM]]