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'''Unreleased structure'''


The entry 7bae is ON HOLD
==Crystal structure of PAFB==
<StructureSection load='7bae' size='340' side='right'caption='[[7bae]], [[Resolution|resolution]] 1.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BAE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BAE 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]] 1.2&#8491;</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=7bae FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bae OCA], [https://pdbe.org/7bae PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7bae RCSB], [https://www.ebi.ac.uk/pdbsum/7bae PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7bae ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Controlled protein assembly holds great potential in the fabrication of biohybrid materials. However, the structural diversity and complexity of proteins present an obstacle to controlled assembly. Supramolecular chemistry is a possible solution as it offers tools to mediate self-assembly with molecular precision. This paper deals with the calixarene- and zinc-mediated assembly and crystallization of the histidine-rich Penicillium chrysogenum antifungal protein B (PAFB). We report crystal structures of pure PAFB, PAFB in complex with Zn(2+), and the ternary complex of PAFB, Zn(2+) and sulfonato-calix[8]arene (sclx8). A comparison of the three crystal structures revealed the structural plasticity of PAFB. While the flexible and highly anionic sclx8 resulted in large molecular weight aggregates of PAFB in solution, diffraction-quality crystals of PAFB-sclx8 were not obtained. We report crystals of PAFB-Zn(2+)-sclx8 in which a trinuclear zinc cluster occurred adjacent to a calixarene binding site. Interestingly, the combination of sclx8 complexation and zinc coordination resulted in a porous framework with channels of circa 2 nm diameter. Detailed analysis of the crystal structure highlighted novel molecular recognition features. This research enriches the set of supramolecular interactions available to promote protein assembly.


Authors: Guagnini, F., Huber, A., Alex, J.M., Marx, F., Crowley, P.B.
Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.,Guagnini F, Huber A, Alex JM, Marx F, Crowley PB J Struct Biol. 2021 Feb 23;213(2):107711. doi: 10.1016/j.jsb.2021.107711. PMID:33631304<ref>PMID:33631304</ref>


Description: Crystal structure of PAFB
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Marx, F]]
<div class="pdbe-citations 7bae" style="background-color:#fffaf0;"></div>
[[Category: Guagnini, F]]
== References ==
[[Category: Huber, A]]
<references/>
[[Category: Alex, J.M]]
__TOC__
[[Category: Crowley, P.B]]
</StructureSection>
[[Category: Large Structures]]
[[Category: Alex JM]]
[[Category: Crowley PB]]
[[Category: Guagnini F]]
[[Category: Huber A]]
[[Category: Marx F]]
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