8dpy: Difference between revisions
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==Synthetic Beta Sheet Macrocycle Stabilized by Hydrogen Bond Surrogates== | |||
<StructureSection load='8dpy' size='340' side='right'caption='[[8dpy]], [[Resolution|resolution]] 1.00Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[8dpy]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8DPY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8DPY FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=T7C:3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic+acid'>T7C</scene>, <scene name='pdbligand=T7H:3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic+acid'>T7H</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=8dpy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8dpy OCA], [https://pdbe.org/8dpy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8dpy RCSB], [https://www.ebi.ac.uk/pdbsum/8dpy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8dpy ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Mimics of protein secondary and tertiary structure offer rationally-designed inhibitors of biomolecular interactions. beta-Sheet mimics have a storied history in bioorganic chemistry and are typically designed with synthetic or natural turn segments. We hypothesized that replacement of terminal inter-beta-strand hydrogen bonds with hydrogen bond surrogates (HBS) may lead to conformationally-defined macrocyclic beta-sheets without the requirement for natural or synthetic beta-turns, thereby providing a minimal mimic of protein beta-sheets. To access turn-less antiparallel beta-sheet mimics, we developed a facile solid phase synthesis protocol. We surveyed a dataset of protein beta-sheets for naturally observed interstrand side chain interactions. This bioinformatics survey highlighted an over-abundance of aromatic-aromatic, cation-pi and ionic interactions in beta-sheets. In correspondence with natural beta-sheets, we find that minimal HBS mimics show robust beta-sheet formation when a specific pairing is incorporated. In isolated beta-sheets, aromatic interactions endow superior conformational stability over ionic or cation-pi interactions. Circular dichroism and NMR spectroscopies, along with high-resolution X-ray crystallography, support our design principles. | |||
Macrocyclic beta-Sheets Stabilized by Hydrogen Bond Surrogates.,Nazzaro A, Lu B, Sawyer N, Watkins AM, Arora PS Angew Chem Int Ed Engl. 2023 May 11:e202303943. doi: 10.1002/anie.202303943. PMID:37170337<ref>PMID:37170337</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 8dpy" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Synthetic construct]] | |||
[[Category: Arora PS]] | |||
[[Category: Lu B]] | |||
[[Category: Nazzaro A]] | |||
[[Category: Vecchioni S]] | |||
