A new method to determine DNA sugar conformation from the joint use of 2D and 3D NMR data

Abstract

The use of sugar restraints has been proven essential for assessing DNAstructures through molecular modeling studies. We present a new methodcombining 2D (COSY and NOESY) and 3D (NOESY-NOESY) experiments, whereconstraints on either the phase angles or the difference between phase anglesof two residues are obtained from comparison of 2D NOE H1′-H4′intensities and 3D NOE intensities containing the H1′-H4′transfer. All experiments lead to restraints that match, proving the validityof the method.