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7baf
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==Crystal structure of PAFB in complex with zinc== | ==Crystal structure of PAFB in complex with zinc== | ||
| - | <StructureSection load='7baf' size='340' side='right'caption='[[7baf]]' scene=''> | + | <StructureSection load='7baf' size='340' side='right'caption='[[7baf]], [[Resolution|resolution]] 1.12Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BAF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BAF FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7baf]] is a 1 chain structure with sequence from [https://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=7BAF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BAF FirstGlance]. <br> |
| - | </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=7baf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7baf OCA], [https://pdbe.org/7baf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7baf RCSB], [https://www.ebi.ac.uk/pdbsum/7baf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7baf ProSAT]</span></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.123Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=7baf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7baf OCA], [https://pdbe.org/7baf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7baf RCSB], [https://www.ebi.ac.uk/pdbsum/7baf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7baf ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/AFP_PENRW AFP_PENRW] Strong antifungal activity against the molds P.commune Pc332, P.echinulatum Pe321, and A.niger An261. | ||
| + | <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. | ||
| + | |||
| + | 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> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7baf" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| + | [[Category: Penicillium rubens Wisconsin 54-1255]] | ||
[[Category: Alex JM]] | [[Category: Alex JM]] | ||
[[Category: Crowley PB]] | [[Category: Crowley PB]] | ||
Current revision
Crystal structure of PAFB in complex with zinc
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