2A3J

Structure of URNdesign, a complete computational redesign of human U1A protein

2A3J の概要

• エントリーDOI: 10.2210/pdb2a3j/pdb
• NMR情報: BMRB: 6493
• 分子名称: U1 small nuclear ribonucleoprotein A (1 entity in total)
• 機能のキーワード: computationally designed protein, rrm, u1a, rna binding protein
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus: P09012
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 13948.34

構造登録者

Varani, G.,Dobson, N.,Dantas, G.,Baker, D. (登録日: 2005-06-24, 公開日: 2006-06-06, 最終更新日: 2024-05-22)

主引用文献

Dobson, N.,Dantas, G.,Baker, D.,Varani, G.
High-Resolution Structural Validation of the Computational Redesign of Human U1A Protein
Structure, 14:847-856, 2006

PubMed Abstract: Achieving atomic-level resolution in the computational design of a protein structure remains a challenging problem despite recent progress. Rigorous experimental tests are needed to improve protein design algorithms, yet studies of the structure and dynamics of computationally designed proteins are very few. The NMR structure and backbone dynamics of a redesigned protein of 96 amino acids are compared here with the design target, human U1A protein. We demonstrate that the redesigned protein reproduces the target structure to within the uncertainty of the NMR coordinates, even as 65 out of 96 amino acids were simultaneously changed by purely computational methods. The dynamics of the backbone of the redesigned protein also mirror those of human U1A, suggesting that the protein design algorithm captures the shape of the potential energy landscape in addition to the local energy minimum.

PubMed: 16698546
DOI: 10.1016/j.str.2006.02.011

実験手法

SOLUTION NMR