View source for 6haj


==Crystal structure of PAF - p-sulfonatocalix[8]arene complex==
<StructureSection load='6haj' size='340' side='right'caption='[[6haj]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6haj]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Penicillium_rubens_wisconsin_54-1255 Penicillium rubens wisconsin 54-1255]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HAJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HAJ FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EVB:sulfonato-calix[8]arene'>EVB</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6ha4|6ha4]], [[6hah|6hah]]</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=6haj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6haj OCA], [http://pdbe.org/6haj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6haj RCSB], [http://www.ebi.ac.uk/pdbsum/6haj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6haj ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Synthetic macrocycles such as calixarenes and cucurbiturils are increasingly applied as mediators of protein assembly and crystallization. The macrocycle can facilitate assembly by providing a surface on which two or more proteins bind simultaneously. This work explores the capacity of the sulfonato-calix[n]arene (sclx n ) series to effect crystallization of PAF, a small, cationic antifungal protein. Co-crystallization with sclx4, sclx6 or sclx8 led to high-resolution crystal structures. In the absence of sclx n , diffraction-quality crystals of PAF were not obtained. Interestingly, all three sclx n were bound to a similar patch on PAF. The largest and most flexible variant, sclx8, yielded a dimer of PAF. Complex formation was evident in solution via NMR and ITC experiments, showing more pronounced effects with increasing macrocycle size. In agreement with the crystal structure, the ITC data suggested that sclx8 acts as a bidentate ligand. The contributions of calixarene size/conformation to protein recognition and assembly are discussed. Finally, it is suggested that the conserved binding site for anionic calixarenes implicates this region of PAF in membrane binding, which is a prerequisite for antifungal activity.

Calixarene-mediated assembly of a small antifungal protein.,Alex JM, Rennie ML, Engilberge S, Lehoczki G, Dorottya H, Fizil A, Batta G, Crowley PB IUCrJ. 2019 Feb 5;6(Pt 2):238-247. doi: 10.1107/S2052252519000411. eCollection, 2019 Mar 1. PMID:30867921<ref>PMID:30867921</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6haj" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Penicillium rubens wisconsin 54-1255]]
[[Category: Alex, J M]]
[[Category: Batta, G]]
[[Category: Crowley, P B]]
[[Category: Engilberge, S]]
[[Category: Rennie, M]]
[[Category: Antifungal protein]]
[[Category: Calixarene]]
[[Category: Molecular glue]]
[[Category: Nucleating agent]]
[[Category: Penicillium chrysogenum]]