View source for 8gd6


==Porous framework formed by assembly of a bipyridyl-conjugated helical peptide==
<StructureSection load='8gd6' size='340' side='right'caption='[[8gd6]], [[Resolution|resolution]] 0.91&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8gd6]] is a 1 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=8GD6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8GD6 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]] 0.91&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AIB:ALPHA-AMINOISOBUTYRIC+ACID'>AIB</scene>, <scene name='pdbligand=I77:6-[5-(aminocarbamoyl)pyridin-2-yl]pyridine-3-carboxamide'>I77</scene>, <scene name='pdbligand=NIO:NICOTINIC+ACID'>NIO</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=8gd6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8gd6 OCA], [https://pdbe.org/8gd6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8gd6 RCSB], [https://www.ebi.ac.uk/pdbsum/8gd6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8gd6 ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Though thiols are exceptionally versatile, their high reactivity has also hindered the synthesis and characterization of well-defined thiol-containing porous materials. Leveraging the mild conditions of the noncovalent peptide assembly, we readily synthesized and characterized a number of frameworks with thiols displayed at many unique positions and in several permutations. Importantly, nearly all assemblies were structurally determined using single-crystal X-ray diffraction to reveal their rich sequence-structure landscape and the cooperative noncovalent interactions underlying their assembly. These observations and supporting molecular dynamics calculations enabled rational engineering by the positive and negative design of noncovalent interactions. Furthermore, the thiol-containing frameworks undergo diverse single-crystal-to-single-crystal reactions, including toxic metal ion coordination (e.g., Cd(2+), Pb(2+), and Hg(2+)), selective uptake of Hg(2+) ions, and redox transformations. Notably, we find a framework that supports thiol-nitrosothiol interconversion, which is applicable for biocompatible nitric oxide delivery. The modularity, ease of synthesis, functionality, and well-defined nature of these peptide-based thiol frameworks are expected to accelerate the design of complex materials with reactive active sites.

Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.,Hess SS, Coppola F, Dang VT, Tran PN, Mickel PJ, Oktawiec J, Ren Z, Kral P, Nguyen AI J Am Chem Soc. 2023 Sep 13;145(36):19588-19600. doi: 10.1021/jacs.3c03645. Epub , 2023 Aug 28. PMID:37639365<ref>PMID:37639365</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 8gd6" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Synthetic construct]]
[[Category: Hess SS]]
[[Category: Nguyen AI]]