1XQQ

Simultaneous determination of protein structure and dynamics

1XQQ の概要

• エントリーDOI: 10.2210/pdb1xqq/pdb
• 関連するPDBエントリー: 1D3Z 1UBQ
• 分子名称: ubiquitin (1 entity in total)
• 機能のキーワード: signaling protein, ubiquitin
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 8576.83

構造登録者

Lindorff-Larsen, K.,Best, R.B.,DePristo, M.A.,Vendruscolo, M.,Dobson, C.M. (登録日: 2004-10-13, 公開日: 2005-02-08, 最終更新日: 2024-05-29)

主引用文献

Lindorff-Larsen, K.,Best, R.B.,Depristo, M.A.,Dobson, C.M.,Vendruscolo, M.
Simultaneous determination of protein structure and dynamics
Nature, 433:128-132, 2005

PubMed Abstract: We present a protocol for the experimental determination of ensembles of protein conformations that represent simultaneously the native structure and its associated dynamics. The procedure combines the strengths of nuclear magnetic resonance spectroscopy--for obtaining experimental information at the atomic level about the structural and dynamical features of proteins--with the ability of molecular dynamics simulations to explore a wide range of protein conformations. We illustrate the method for human ubiquitin in solution and find that there is considerable conformational heterogeneity throughout the protein structure. The interior atoms of the protein are tightly packed in each individual conformation that contributes to the ensemble but their overall behaviour can be described as having a significant degree of liquid-like character. The protocol is completely general and should lead to significant advances in our ability to understand and utilize the structures of native proteins.

PubMed: 15650731
DOI: 10.1038/nature03199

実験手法

SOLUTION NMR