Bound Compound, Interfacial Water, and Phenyl Ring Rotation Dynamics of a Compound in the DNA Minor Groove

DB2277, a heterocyclic diamidine, is a successful design for mixed base pair (bp) DNA sequence recognition. The compound has a central aza-benzimidazole group that forms two H-bonds with a GC bp that has flanking AT bps. The nuclear magnetic resonance structure of the DB2277–DNA complex with an AAGA...

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Veröffentlicht in:	Biochemistry (Easton) 2018-08, Vol.57 (33), p.5050-5057
Hauptverfasser:	Harika, Narinder K, Wilson, W. David
Format:	Artikel
Sprache:	eng
Schlagworte:	Benzamidines - chemistry Benzimidazoles - chemistry Binding Sites DNA DNA - chemistry heterocyclic compounds Hydrogen Bonding Molecular Conformation molecular dynamics Molecular Dynamics Simulation nuclear magnetic resonance spectroscopy nucleotide sequences Water - chemistry
Online-Zugang:	Volltext
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