8R6D

A quadruplex-duplex hybrid with a three-layered hybrid-2 G-quadruplex topology

8R6D の概要

• エントリーDOI: 10.2210/pdb8r6d/pdb
• NMR情報: BMRB: 34880
• 分子名称: DNA (31-MER) (1 entity in total)
• 機能のキーワード: (3+1) hybrid, dna, hybrid-2, g-quadruplex, quadruplex-duplex hybrid
• 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: 9771.24

構造登録者

Vianney, Y.M.,Weisz, K. (登録日: 2023-11-22, 公開日: 2024-03-06, 最終更新日: 2024-07-10)

主引用文献

Vianney, Y.M.,Dierks, D.,Weisz, K.
Structural Differences at Quadruplex-Duplex Interfaces Enable Ligand-Induced Topological Transitions.
Adv Sci, 11:e2309891-e2309891, 2024

PubMed Abstract: Quadruplex-duplex (QD) junctions, which represent unique structural motifs of both biological and technological significance, have been shown to constitute high-affinity binding sites for various ligands. A QD hybrid construct based on a human telomeric sequence, which harbors a duplex stem-loop in place of a short lateral loop, is structurally characterized by NMR. It folds into two major species with a (3+1) hybrid and a chair-type (2+2) antiparallel quadruplex domain coexisting in a K buffer solution. The antiparallel species is stabilized by an unusual capping structure involving a thymine and protonated adenine base AH of the lateral loop facing the hairpin duplex to form a T·AH·G·C quartet with the interfacial G·C base pair at neutral pH. Addition and binding of Phen-DC to the QD hybrid mixture by its partial intercalation at corresponding QD junctions leads to a topological transition with exclusive formation of the (3+1) hybrid fold. In agreement with the available experimental data, such an unprecedented discrimination of QD junctions by a ligand can be rationalized following an induced fit mechanism.

PubMed: 38477454
DOI: 10.1002/advs.202309891

実験手法

SOLUTION NMR