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7bad

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Crystal structure of PAFB in complex with p-sulfonato-calix[8]arene and zinc

Structural highlights

7bad is a 1 chain structure with sequence from Penicillium rubens Wisconsin 54-1255. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.69Å
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

AFP_PENRW Strong antifungal activity against the molds P.commune Pc332, P.echinulatum Pe321, and A.niger An261.

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^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

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

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/7bad"

@@ Line 3: / Line 3: @@
 <StructureSection load='7bad' size='340' side='right'caption='[[7bad]], [[Resolution|resolution]] 1.69&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[7bad]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Penrw Penrw]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BAD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BAD FirstGlance]. <br>
+<table><tr><td colspan='2'>[[7bad]] 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=7BAD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BAD FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EVB:sulfonato-calix[8]arene'>EVB</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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]] 1.69&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2nc2|2nc2]], [[6haj|6haj]]</div></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EVB:sulfonato-calix[8]arene'>EVB</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">afp, Pc12g08290 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=500485 PENRW])</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=7bad FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bad OCA], [https://pdbe.org/7bad PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7bad RCSB], [https://www.ebi.ac.uk/pdbsum/7bad PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7bad ProSAT]</span></td></tr>
 </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.
+[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 ==
@@ Line 25: / Line 24: @@
 </StructureSection>
 [[Category: Large Structures]]
-[[Category: Penrw]]
+[[Category: Penicillium rubens Wisconsin 54-1255]]
-[[Category: Alex, J M]]
+[[Category: Alex JM]]
-[[Category: Crowley, P B]]
+[[Category: Crowley PB]]
-[[Category: Guagnini, F]]
+[[Category: Guagnini F]]
-[[Category: Huber, A]]
+[[Category: Huber A]]
-[[Category: Marx, F]]
+[[Category: Marx F]]
-[[Category: Antifungal protein]]
-[[Category: Molecular recognition]]
-[[Category: Penicillium chrysogenum antifungal protein b]]
-[[Category: Porous framework]]
-[[Category: Zinc]]

7bad

From Proteopedia

Current revision

Crystal structure of PAFB in complex with p-sulfonato-calix[8]arene and zinc

Structural highlights

Function

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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