[Nucleotide conformation in aqueous solutions by the NMR spectrum lanthanide shift method]

Area of Science:

• Biophysical chemistry
• Structural biology
• Nuclear Magnetic Resonance (NMR) spectroscopy

Context:

• Investigating the structural dynamics of nucleoside triphosphates, dinucleotides, and nucleoside monophosphates.
• Utilizing lanthanide perchlorate and a novel lanthanide complex of pyridoxalidenaspartic acid as Lanthanide Shift Reagents (LSR).

Purpose:

• To elucidate the spatial arrangement of nucleotide bases relative to phosphate groups using 1H and 31P NMR.
• To determine the conformational states of NAD+ and its derivatives at varying pH levels.
• To analyze the pH-dependent conformational transitions of Adenosine Monophosphate (AMP).

Summary:

• 1H and 31P NMR with lanthanide shift reagents demonstrate that nucleotide bases are positioned close to the phosphate groups in nucleoside triphosphates.
• A new LSR, a lanthanide complex of pyridoxalidenaspartic acid, was employed to study dinucleotides and nucleoside monophosphates.
• NAD+ and its derivatives adopt a folded conformation at high pH, while AMP undergoes a conformational change between pH 7 and 8.5.

Impact:

• Provides insights into the solution structures and conformational flexibility of key biological molecules.
• Demonstrates the utility of novel lanthanide shift reagents for structural studies of nucleotides.
• Contributes to understanding the structure-function relationships of nucleotides in biological systems.