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==Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa==
==Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa==
<StructureSection load='5ney' size='340' side='right' caption='[[5ney]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
<StructureSection load='5ney' size='340' side='right'caption='[[5ney]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5ney]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NEY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NEY FirstGlance]. <br>
<table><tr><td colspan='2'>[[5ney]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NEY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5NEY FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=OXE:ORTHO-XYLENE'>OXE</scene>, <scene name='pdbligand=ZDC:3,7-ANHYDRO-2,8-DIDEOXY-L-GLYCERO-D-GLUCO-OCTONIC+ACID'>ZDC</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]] 1.55&#8491;</td></tr>
<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=DLY:D-LYSINE'>DLY</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DLY:D-LYSINE'>DLY</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=OXE:ORTHO-XYLENE'>OXE</scene>, <scene name='pdbligand=ZDC:3,7-ANHYDRO-2,8-DIDEOXY-L-GLYCERO-D-GLUCO-OCTONIC+ACID'>ZDC</scene></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=5ney FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ney OCA], [http://pdbe.org/5ney PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ney RCSB], [http://www.ebi.ac.uk/pdbsum/5ney PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ney ProSAT]</span></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=5ney FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ney OCA], [https://pdbe.org/5ney PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ney RCSB], [https://www.ebi.ac.uk/pdbsum/5ney PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ney ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9HYN5_PSEAE Q9HYN5_PSEAE]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Here we report a new family of cyclic antimicrobial peptides (CAMPs) targeting MDR strains of Pseudomonas aeruginosa. These CAMPs are cyclized via a xylene double thioether bridge connecting two cysteines placed at the ends of a linear amphiphilic alternating d,l-sequence composed of lysines and tryptophans. Investigations by transmission electron microscopy (TEM), dynamic light scattering and atomic force microscopy (AFM) suggest that these peptide macrocycles interact with the membrane to form lipid-peptide aggregates. Amphiphilic conformations compatible with membrane disruption are observed in high resolution X-ray crystal structures of fucosylated derivatives in complex with lectin LecB. The potential for optimization is highlighted by N-methylation of backbone amides leading to derivatives with similar antimicrobial activity but lower hemolysis.
Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa.,He R, Di Bonaventura I, Visini R, Gan BH, Fu Y, Probst D, Luscher A, Kohler T, van Delden C, Stocker A, Hong W, Darbre T, Reymond JL Chem Sci. 2017 Nov 1;8(11):7464-7475. doi: 10.1039/c7sc01599b. Epub 2017 Sep 4. PMID:29163899<ref>PMID:29163899</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5ney" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Bonaventura, I Di]]
[[Category: Large Structures]]
[[Category: Darbre, T]]
[[Category: Delden, C van]]
[[Category: Fu, Y]]
[[Category: He, R]]
[[Category: Hong, W]]
[[Category: Koehler, T]]
[[Category: Luscher, A]]
[[Category: Reymond, J L]]
[[Category: Stocker, A]]
[[Category: Visini, R]]
[[Category: Antimicrobial]]
[[Category: Cyclic peptide]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Sugar binding protein]]
[[Category: Synthetic construct]]
[[Category: Darbre T]]
[[Category: Di Bonaventura I]]
[[Category: Fu Y]]
[[Category: He R]]
[[Category: Hong W]]
[[Category: Koehler T]]
[[Category: Luscher A]]
[[Category: Reymond J-L]]
[[Category: Stocker A]]
[[Category: Visini R]]
[[Category: Van Delden C]]
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