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

Summary for 3NZ7

• Entry DOI: 10.2210/pdb3nz7/pdb
• Related: 1JPQ 1JRN 1L1H 3CE5 3EM2 3EQW 3ERU 3ES0 3ET8 3EUI 3EUM 3NYP
• Descriptor: 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)
• Functional Keywords: quadruplex, oxtyricha nova, bsu-6039, bsu6039, anti-parallel, bimolecular, macromolecule, dna, g-quadruplex, telomere, acridine, fluorination
• Total number of polymer chains: 2
• Total formula weight: 8262.88

Authors

Campbell, N.H.,Neidle, S. (deposition date: 2010-07-16, release date: 2010-08-25, Last modification date: 2023-09-06)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.1 Å)