6VGA

De novo designed Rossmann fold protein ROS2_835

6VGA の概要

• エントリーDOI: 10.2210/pdb6vga/pdb
• 関連するPDBエントリー: 6VG7
• NMR情報: BMRB: 30707
• 分子名称: De novo designed protein RO2_1 (1 entity in total)
• 機能のキーワード: rossmann fold, de novo protein
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 13925.99

構造登録者

Pan, X.,Zhang, Y.,Kelly, M.,Kortemme, T. (登録日: 2020-01-07, 公開日: 2020-08-19, 最終更新日: 2024-05-15)

主引用文献

Pan, X.,Thompson, M.C.,Zhang, Y.,Liu, L.,Fraser, J.S.,Kelly, M.J.S.,Kortemme, T.
Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369:1132-1136, 2020

PubMed Abstract: Naturally occurring proteins vary the precise geometries of structural elements to create distinct shapes optimal for function. We present a computational design method, loop-helix-loop unit combinatorial sampling (LUCS), that mimics nature's ability to create families of proteins with the same overall fold but precisely tunable geometries. Through near-exhaustive sampling of loop-helix-loop elements, LUCS generates highly diverse geometries encompassing those found in nature but also surpassing known structure space. Biophysical characterization showed that 17 (38%) of 45 tested LUCS designs encompassing two different structural topologies were well folded, including 16 with designed non-native geometries. Four experimentally solved structures closely matched the designs. LUCS greatly expands the designable structure space and offers a new paradigm for designing proteins with tunable geometries that may be customizable for novel functions.

PubMed: 32855341
DOI: 10.1126/science.abc0881

実験手法

SOLUTION NMR