6F7X

Crystal structure of dimethylated RSL - cucurbit[7]uril complex, F432 form

6F7X の概要

• エントリーDOI: 10.2210/pdb6f7x/pdb
• 関連するPDBエントリー: 6F7W 6F7Y
• 分子名称: Fucose-binding lectin protein, methyl alpha-L-fucopyranoside, cucurbit[7]uril, ... (5 entities in total)
• 機能のキーワード: cucurbituril, dimethyllysine, supramolecular recognition, sugar binding protein
• 由来する生物種: Ralstonia solanacearum (Pseudomonas solanacearum)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 33015.38

構造登録者

Guagnini, F.,Rennie, M.L.,Crowley, P.B. (登録日: 2017-12-12, 公開日: 2018-05-30, 最終更新日: 2024-01-17)

主引用文献

Guagnini, F.,Antonik, P.M.,Rennie, M.L.,O'Byrne, P.,Khan, A.R.,Pinalli, R.,Dalcanale, E.,Crowley, P.B.
Cucurbit[7]uril-Dimethyllysine Recognition in a Model Protein.
Angew. Chem. Int. Ed. Engl., 57:7126-7130, 2018

PubMed Abstract: Here, we provide the first structural characterization of host-guest complexation between cucurbit[7]uril (Q7) and dimethyllysine (KMe ) in a model protein. Binding was dominated by complete encapsulation of the dimethylammonium functional group. While selectivity for the most sterically accessible dimethyllysine was observed both in solution and in the solid state, three different modes of Q7-KMe complexation were revealed by X-ray crystallography. The crystal structures revealed also entrapped water molecules that solvated the ammonium group within the Q7 cavity. Remarkable Q7-protein assemblies, including inter-locked octahedral cages that comprise 24 protein trimers, occurred in the solid state. Cucurbituril clusters appear to be responsible for these assemblies, suggesting a strategy to generate controlled protein architectures.

PubMed: 29673020
DOI: 10.1002/anie.201803232

実験手法

X-RAY DIFFRACTION (2.42 Å)