5LFT

Crystal structure of cytochrome c - Bromo-trisulfonatocalix[4]arene complexes

5LFT の概要

• エントリーDOI: 10.2210/pdb5lft/pdb
• 関連するPDBエントリー: 5KPF 5T8W
• 分子名称: Cytochrome c iso-1, HEME C, BROMIDE ION, ... (5 entities in total)
• 機能のキーワード: cytochrome c, modified calixarene, bromo group, electron transport
• 由来する生物種: Saccharomyces cerevisiae (Baker's yeast)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15050.80

構造登録者

Doolan, A.M.,Rennie, M.L.,Crowley, P.B. (登録日: 2016-07-04, 公開日: 2017-07-12, 最終更新日: 2024-10-23)

主引用文献

Doolan, A.M.,Rennie, M.L.,Crowley, P.B.
Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24:984-991, 2018

PubMed Abstract: The interactions of two mono-functionalized sulfonatocalix[4]arenes with cytochrome c were investigated by structural and thermodynamic methods. The replacement of a single sulfonate with either a bromo or a phenyl substituent resulted in altered recognition of cytochrome c as evidenced by X-ray crystallography. The bromo-substituted ligand yielded a new binding mode in which a self-encapsulated calixarene dimer contributed to crystal packing. This ligand also formed a weak halogen bond with the protein. The phenyl-substituted ligand was bound to Lys4 of cytochrome c, in a 1.7 Å resolution crystal structure. A dimeric packing arrangement mediated by ligand-ligand contacts in the crystal suggested a possible assembly mechanism. The different protein recognition properties of these calixarenes are discussed.

PubMed: 29125201
DOI: 10.1002/chem.201704931

実験手法

X-RAY DIFFRACTION (1.249 Å)