Solution structure of the nitrous acid induced DNA interstrand cross-linked dodecamer duplex CGCTAC(G)TAGCG with the cross-linked guanines denoted (G)
Solution structure of a nitrous acid induced DNA interstrand cross-link.
RESIDUE DG B7 HAS EXTRA HYDROGEN ATOM H6
Solution structure of the nitrous acid induced DNA interstrand cross-linked dodecamer duplex GCATCC(G)GATGC with the cross-linked guanines denoted (G)
COMPOUND N2 ATOM OF G7 IS MISSING IN ALL MODELS DUE TO NITROUS ACID INDUCED DNA INTERSTRAND CROSS-LINKED DODECAMER DUPLEX
Chemical synthesis described in Harwood et al. (1999) J. Am. Chem. Soc. 121, 5081-5082
This structure was determined using standard 2D homonuclear techniques
back calculated data agree with experimental NOESY spectrum
the structures are based on a total of 647 distance restraints (514 are NOE-derived, 42 from hydrogen bonding, 81 repulsive) and 176 dihedral angle restraints (104 backbone, 72 chiral).
distance geometry, molecular dynamics, matrix relaxation
1mM DNA, 10mM phosphate pH 7.0, 200mM NaCl, 1mM EDTA
DNA, NITROUS ACID, CROSS-LINK, EXTRAHELICAL CYTOSINES, MINOR GROOVE