8I44

Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues

8I44 の概要

• エントリーDOI: 10.2210/pdb8i44/pdb
• 関連するPDBエントリー: 8I43
• 分子名称: RNA-C-3AU-uucg, 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide (2 entities in total)
• 機能のキーワード: fluoroquinolone, rna, interaction, specificity
• 由来する生物種: Mus musculus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 6474.16

構造登録者

Ichijo, R.,Kamimura, T.,Kawai, G. (登録日: 2023-01-18, 公開日: 2023-03-29, 最終更新日: 2024-05-15)

主引用文献

Ichijo, R.,Kamimura, T.,Kawai, G.
Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10:1145528-1145528, 2023

PubMed Abstract: RNA-targeted small molecules are a promising modality in drug discovery. Recently, we found that a fluoroquinolone derivative, KG022, can bind to RNAs with bulged C or G. To clarify the RNA specificity of KG022, we analyzed the effect of the base pair located at the 3'side of the bulged residue. It was found that KG022 prefers G-C and A-U base pairs at the 3'side. Solution structures of the complexes of KG022 with the four RNA molecules with bulged C or G and G-C or A-U base pairs at the 3'side of the bulged residue were determined to find that the fluoroquinolone moiety is located between two purine bases, and this may be the mechanism of the specificity. This work provides an important example of the specificity of RNA-targeted small molecules.

PubMed: 36999159
DOI: 10.3389/fmolb.2023.1145528

実験手法

SOLUTION NMR