8RJS

Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I5 intermediate state.

8RJS の概要

• エントリーDOI: 10.2210/pdb8rjs/pdb
• 関連するPDBエントリー: 6G1Y 6G1Z 6G20 8RJM 8RJN 8RJO 8RJP 8RJQ 8RJR 8RJT 8RJU
• 分子名称: histidine kinase, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: fluorescent protein, phytochrome, bacteriophytochrome, intermediate, optogenetic, signaling protein
• 由来する生物種: Agrobacterium fabrum str. C58
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 116700.06

構造登録者

Sauthof, L.,Schmidt, A.,Szczepek, M.,Brewster, A.S.,Kern, J.F.,Scheerer, P. (登録日: 2023-12-21, 公開日: 2025-05-14, 最終更新日: 2025-06-11)

主引用文献

Sauthof, L.,Szczepek, M.,Schmidt, A.,Bhowmick, A.,Dasgupta, M.,Mackintosh, M.J.,Gul, S.,Fuller, F.D.,Chatterjee, R.,Young, I.D.,Michael, N.,Heyder, N.A.,Bauer, B.,Koch, A.,Bogacz, I.,Kim, I.S.,Simon, P.S.,Butryn, A.,Aller, P.,Chukhutsina, V.U.,Baxter, J.M.,Hutchison, C.D.M.,Liebschner, D.,Poon, B.,Sauter, N.K.,Miller, M.D.,Alonso-Mori, R.,Hunter, M.S.,Batyuk, A.,Owada, S.,Tono, K.,Tanaka, R.,van Thor, J.J.,Krauss, N.,Lamparter, T.,Brewster, A.S.,Schapiro, I.,Orville, A.M.,Yachandra, V.K.,Yano, J.,Hildebrandt, P.,Kern, J.F.,Scheerer, P.
Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11:eadp2665-eadp2665, 2025

PubMed Abstract: The photoreaction and commensurate structural changes of a chromophore within biological photoreceptors elicit conformational transitions of the protein promoting the switch between deactivated and activated states. We investigated how this coupling is achieved in a bacterial phytochrome variant, Agp2-PAiRFP2. Contrary to classical protein crystallography, which only allows probing (cryo-trapped) stable states, we have used time-resolved serial femtosecond x-ray crystallography (tr-SFX) and pump-probe techniques with various illumination and delay times with respect to photoexcitation of the parent Pfr state. Thus, structural data for seven time frames were sorted into groups of molecular events along the reaction coordinate. They range from chromophore isomerization to the formation of Meta-F, the intermediate that precedes the functional relevant secondary structure transition of the tongue. Structural data for the early events were used to calculate the photoisomerization pathway to complement the experimental data. Late events allow identifying the molecular switch that is linked to the intramolecular proton transfer as a prerequisite for the following structural transitions.

PubMed: 40435264
DOI: 10.1126/sciadv.adp2665

実験手法

X-RAY DIFFRACTION (2.43 Å)