N7-Guanine Adduct of 2,7-diaminomitosene with DNA
Solution structure of a guanine-N7-linked complex of the mitomycin C metabolite 2,7-diaminomitosene and DNA. Basis of sequence selectivity.
This structure was determined using standard 2d-NOE buildup studies in H2O and D2O buffers.
The structure is based on 126 intramolecular DNA constraints, 30 H-bonding constraints, 48 intermolecular drug-DNA constraints, and 48 dihedral constraints
distance geometry and molecular dynamics
1.2 mM d(GTG(+G)TATACCAC) duplex in 0.01 M sodium phosphate, 0.1 M NaCl, 0.001M EDTA
double helix, major groove binding drug, guanine-N7-alkylator, DNA