7BBT

Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane

7BBT の概要

• エントリーDOI: 10.2210/pdb7bbt/pdb
• 関連するPDBエントリー: 6RSI
• 分子名称: Cytochrome c iso-1, HEME C, 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate, ... (5 entities in total)
• 機能のキーワード: extended-arm, molecular recognition, biohybrid, alpha-helix, oxidoreductase
• 由来する生物種: Saccharomyces cerevisiae S288C
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 58778.12

構造登録者

Mockler, N.M.,Ramberg, K.,Guagnini, F.,Raston, C.L.,Crowley, P.B. (登録日: 2020-12-18, 公開日: 2021-10-20, 最終更新日: 2024-10-16)

主引用文献

Mockler, N.M.,Ramberg, K.O.,Guagnini, F.,Raston, C.L.,Crowley, P.B.
Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties.
Cryst.Growth Des., 21:1424-1427, 2021

PubMed Abstract: Water-soluble, anionic calix[]arenes are useful receptors for protein recognition and assembly. For example, sulfonato-calix[8]arene ( ) can encapsulate proteins and direct their assembly into porous frameworks. In this work, we turned our attention to an "extended arm" calixarene with 16 phenyl rings. We hypothesized that this larger receptor would have increased capacity for protein masking/encapsulation. A cocrystal structure of -benzyl-sulfonato-calix[8]arene ( ) and cytochrome (cyt ) revealed a surprising assembly. A pseudorotaxane comprising a stack of three molecules threaded by polyethylene glycol (PEG) was bound to the protein. The trimeric stack, a tubelike structure with a highly charged surface, mediated assembly via a new mode of protein recognition. The calixarene stack presents four hydrophobic grooves, each of which binds to one cyt by accommodating the N-terminal α-helix. This unprecedented binding mode suggests new possibilities for supramolecular protein chemistry.

PubMed: 34054353
DOI: 10.1021/acs.cgd.0c01717

実験手法

X-RAY DIFFRACTION (3.023 Å)