4R8J

d(TCGGCGCCGA) with lambda-[Ru(TAP)2(dppz)]2+ soaked in D2O

4R8J の概要

• エントリーDOI: 10.2210/pdb4r8j/pdb
• 関連するPDBエントリー: 3QRN
• 分子名称: DNA (5'-D(*(THM)P*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), BARIUM ION, Ru(tap)2(dppz) complex, ... (5 entities in total)
• 機能のキーワード: dna kinking, infra-red, ruthenium, dna
• 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: 3886.53

構造登録者

Hall, J.P.,Gurung, S.P.,Winter, G.W.,Cardin, C.J. (登録日: 2014-09-02, 公開日: 2015-10-28, 最終更新日: 2024-02-28)

主引用文献

Hall, J.P.,Poynton, F.E.,Keane, P.M.,Gurung, S.P.,Brazier, J.A.,Cardin, D.J.,Winter, G.,Gunnlaugsson, T.,Sazanovich, I.V.,Towrie, M.,Cardin, C.J.,Kelly, J.M.,Quinn, S.J.
Monitoring one-electron photo-oxidation of guanine in DNA crystals using ultrafast infrared spectroscopy.
Nat Chem, 7:961-967, 2015

PubMed Abstract: To understand the molecular origins of diseases caused by ultraviolet and visible light, and also to develop photodynamic therapy, it is important to resolve the mechanism of photoinduced DNA damage. Damage to DNA bound to a photosensitizer molecule frequently proceeds by one-electron photo-oxidation of guanine, but the precise dynamics of this process are sensitive to the location and the orientation of the photosensitizer, which are very difficult to define in solution. To overcome this, ultrafast time-resolved infrared (TRIR) spectroscopy was performed on photoexcited ruthenium polypyridyl-DNA crystals, the atomic structure of which was determined by X-ray crystallography. By combining the X-ray and TRIR data we are able to define both the geometry of the reaction site and the rates of individual steps in a reversible photoinduced electron-transfer process. This allows us to propose an individual guanine as the reaction site and, intriguingly, reveals that the dynamics in the crystal state are quite similar to those observed in the solvent medium.

PubMed: 26587711
DOI: 10.1038/nchem.2369

実験手法

X-RAY DIFFRACTION (1.21 Å)