3NZ7

A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains

3NZ7 の概要

• エントリーDOI: 10.2210/pdb3nz7/pdb
• 関連するPDBエントリー: 1JPQ 1JRN 1L1H 3CE5 3EM2 3EQW 3ERU 3ES0 3ET8 3EUI 3EUM 3NYP
• 分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION, 3,6-bis(3-(3'-(S)-fluoropyrrolindino)propionamido)acridine, ... (4 entities in total)
• 機能のキーワード: quadruplex, oxtyricha nova, bsu-6039, bsu6039, anti-parallel, bimolecular, macromolecule, dna, g-quadruplex, telomere, acridine, fluorination
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 8262.88

構造登録者

Campbell, N.H.,Neidle, S. (登録日: 2010-07-16, 公開日: 2010-08-25, 最終更新日: 2023-09-06)

主引用文献

Campbell, N.H.,Smith, D.L.,Reszka, A.P.,Neidle, S.,O'Hagan, D.
Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.
Org.Biomol.Chem., 9:1328-1331, 2011

PubMed Abstract: Comparative X-ray structure studies reveal that C-F bond incorporation into the peripheral pyrrolidine moieties of the G-quadruplex DNA binding ligand BSU6039 leads to a distinct pyrrolidine ring conformation, relative to the non-fluorinated analogue, and with a different binding mode involving reversal of the pyrrolidinium N(+)-H orientation.

PubMed: 21221451
DOI: 10.1039/c0ob00886a

実験手法

X-RAY DIFFRACTION (1.1 Å)