6W90

De novo designed NTF2 fold protein NT-9

6W90 の概要

• エントリーDOI: 10.2210/pdb6w90/pdb
• 分子名称: NTF2 fold protein loop-helix-loop design NT-9, 1,2-Distearoyl-sn-glycerophosphoethanolamine (3 entities in total)
• 機能のキーワード: protein design, de novo fold family, loop-helix-loop motif, geometric sampling, 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: 16529.90

構造登録者

Thompson, M.C.,Pan, X.,Liu, L.,Fraser, J.S.,Kortemme, T. (登録日: 2020-03-21, 公開日: 2020-08-19, 最終更新日: 2024-04-03)

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

X-RAY DIFFRACTION (1.5 Å)