3JA6

Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling

3JA6 の概要

• エントリーDOI: 10.2210/pdb3ja6/pdb
• EMDBエントリー: 6319 6320
• 分子名称: Chemotaxis protein CheW, Chemotaxis protein CheA, Methyl-accepting chemotaxis protein 2, ... (4 entities in total)
• 機能のキーワード: bacterial chemotaxis, core-signaling unit, adaptor protein, histidine kinase, chemoreceptor, signaling protein
• 由来する生物種: Escherichia coli; 詳細
• タンパク質・核酸の鎖数: 18
• 化学式量合計: 547598.46

構造登録者

Cassidy, C.K.,Himes, B.A.,Alvarez, F.J.,Ma, J.,Zhao, G.,Perilla, J.R.,Schulten, K.,Zhang, P. (登録日: 2015-04-21, 公開日: 2015-12-09, 最終更新日: 2024-02-21)

主引用文献

Cassidy, C.K.,Himes, B.A.,Alvarez, F.J.,Ma, J.,Zhao, G.,Perilla, J.R.,Schulten, K.,Zhang, P.
CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling.
Elife, 4:e08419-e08419, 2015

PubMed Abstract: Chemotactic responses in bacteria require large, highly ordered arrays of sensory proteins to mediate the signal transduction that ultimately controls cell motility. A mechanistic understanding of the molecular events underlying signaling, however, has been hampered by the lack of a high-resolution structural description of the extended array. Here, we report a novel reconstitution of the array, involving the receptor signaling domain, histidine kinase CheA, and adaptor protein CheW, as well as a density map of the core-signaling unit at 11.3 Å resolution, obtained by cryo-electron tomography and sub-tomogram averaging. Extracting key structural constraints from our density map, we computationally construct and refine an atomic model of the core array structure, exposing novel interfaces between the component proteins. Using all-atom molecular dynamics simulations, we further reveal a distinctive conformational change in CheA. Mutagenesis and chemical cross-linking experiments confirm the importance of the conformational dynamics of CheA for chemotactic function.

PubMed: 26583751
DOI: 10.7554/eLife.08419

実験手法

ELECTRON MICROSCOPY (12.7 Å)