8GIV

Porous framework formed by assembly of a bipyridyl-conjugated helical peptide

8GIV の概要

• エントリーDOI: 10.2210/pdb8giv/pdb
• 分子名称: bipyridyl-conjugated helical peptide (2 entities in total)
• 機能のキーワード: de novo protein
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 2516.98

構造登録者

Hess, S.S.,Nguyen, A.I. (登録日: 2023-03-14, 公開日: 2023-11-15, 最終更新日: 2024-09-25)

主引用文献

Hess, S.S.,Coppola, F.,Dang, V.T.,Tran, P.N.,Mickel, P.J.,Oktawiec, J.,Ren, Z.,Kral, P.,Nguyen, A.I.
Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145:19588-19600, 2023

PubMed Abstract: 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, Pb, and Hg), selective uptake of Hg 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.

PubMed: 37639365
DOI: 10.1021/jacs.3c03645

実験手法

X-RAY DIFFRACTION (0.99 Å)