6HZX

Protein-aromatic foldamer complex crystal structure

これはPDB形式変換不可エントリーです。

6HZX の概要

• エントリーDOI: 10.2210/pdb6hzx/pdb
• 分子名称: Carbonic anhydrase 2, Aromatic foldamer, ZINC ION, ... (5 entities in total)
• 機能のキーワード: protein-foldamer complex, protein-foldamer interactions, modified inhibitor, anchored foldamer, quinoline oligoamide foldamer, benzene sulfonamide modified inhibitor, lyase-lyase inhibitor complex, lyase
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 67217.17

構造登録者

Post, S.,Langlois d'Estaintot, B.,Fischer, L.,Granier, T.,Huc, I. (登録日: 2018-10-24, 公開日: 2019-09-18, 最終更新日: 2024-11-06)

主引用文献

Reddy, P.S.,Langlois d'Estaintot, B.,Granier, T.,Mackereth, C.D.,Fischer, L.,Huc, I.
Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.
Chemistry, 25:11042-11047, 2019

PubMed Abstract: The development of large synthetic ligands could be useful to target the sizeable surface areas involved in protein-protein interactions. Herein, we present long helical aromatic oligoamide foldamers bearing proteinogenic side chains that cover up to 450 Å of the human carbonic anhydrase II (HCA) surface. The foldamers are composed of aminoquinolinecarboxylic acids bearing proteinogenic side chains and of more flexible aminomethyl-pyridinecarboxylic acids that enhance helix handedness dynamics. Crystal structures of HCA-foldamer complexes were obtained with a 9- and a 14-mer both showing extensive protein-foldamer hydrophobic contacts. In addition, foldamer-foldamer interactions seem to be prevalent in the crystal packing, leading to the peculiar formation of an HCA superhelix wound around a rod of stacked foldamers. Solution studies confirm the positioning of the foldamer at the protein surface as well as a dimerization of the complexes.

PubMed: 31257622
DOI: 10.1002/chem.201902942

実験手法

X-RAY DIFFRACTION (2.91 Å)