THE SOLUTION STRUCTURE OF A NON-BAY REGION 11R-BENZ[A]ANTHRACENE OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N-RAS CODON 61 SEQUENCE
Role of a polycyclic aromatic hydrocarbon bay region ring in modulating DNA adduct structure: the non-bay region (8S,9R,10S, 11R)-N(6)-[11-(8,9,10,11-tetrahydro-8,9, 10-trihydroxybenz[a]anthracenyl)]-2' -deoxyadenosyl adduct in codon 61 of the human N-ras protooncogene
Sequence Observed In human N-ras codon 61
This structure was determined using 2D homonuclear techniques
back calculated data agree with experimental NOESY spectrum
The structure is based on a total of 475 NOE derived distance constraints, 55 empirical sugar pucker restraints, 35 empirical backbone angle restraints, and 18 empirical planarity restraints.
NOE-restrained molecular dynamics/simulated annealing
1.8 mM oligodeoxynucleotide; 10 mM phosphate buffer; 0.05 mM EDTA; 0.1 M NaCl