Table 1.
Observed d(CGATATCG)2:C-1305 (D2L) and d(CCCTAGGG)2:C-1305 (D3L) intermolecular NOE contacts. The intensities were classified as weak/medium/strong on the basis of the integration of the respective crosspeaks in the 2D NOESY spectra (τm = 150 ms) of the complexes and due to the lack of an internal standard of the DNA/ligand relaxation.
| No | C-1305 proton | DNA proton | D2L (intensity) | D3L (intensity) |
|---|---|---|---|---|
| NOE contacts involving aromatic protons of the ligand | ||||
| 1 | LH3 | B-A5H1′ | − | + (weak) |
| 2 | LH3 | B-A5H8 | + (medium) | + (weak) |
| 3 | LH3 | B-T4H1′ | + (weak) | + (medium) |
| 4 | LH3 | B-T4H2′' | + (strong) | + (strong) |
| 5 | LH3 | B-T4H3′ | − | + (weak) |
| 6 | LH3 | B-T4H6 | + (weak) | + (weak) |
| 7 | LH3 | B-T4CH3 | − | + (weak) |
| 8 | LH4 | A-A5H2 | − | + (weak) |
| 9 | LH4 | B-A5H4′ | − | + (weak) |
| 10 | LH4 | B-A5H8 | − | + (weak) |
| 11 | LH7 | A-A5H1′ | − | + (weak) |
| 12 | LH7 | A-A5H8 | + (weak) | + (weak) |
| 13 | LH7 | A-T4H6 | + (medium) | + (weak) |
| 14 | LH7 | A-T4CH3 | + (medium) | + (weak) |
| 15 | LH7 | A-T4H1′ | + (medium) | + (medium) |
| 16 | LH7 | A-T4H2′ | + (strong) | + (strong)a |
| 17 | LH7 | A-T4H2′' | + (strong) | + (strong)a |
| 18 | LH7 | A-T4H3′ | + (weak) | − |
| 19 | LH9 | A-T4CH3 | + (strong) | + (strong) |
| 20 | LH10 | A-T4CH3 | + (weak) | + (weak) |
| NOE contacts involving protons of the aliphatic sidechain of the ligand | ||||
| 21 | LH15 | A-A5H2 | + (weak) | + (weak) |
| 22 | LH15 | B-A5H1′ | − | + (medium) |
| 23 | LH15 | B-A5H2 | + (weak) | + (weak) |
| 24 | LH15 | B-A5H4′ | − | + (medium) |
| 25 | LH17 | A-A5H2 | + (strong) | + (medium) |
| 26 | LH17 | B-A5H2 | + (strong) | + (medium) |
| 27 | LH17 | B-A5H4′ | − | + (medium) |
| 28 | LH18 | A-A5H2 | + (strong) | + (weak) |
| 29 | LH18 | B-A5H1′ | − | + (medium) |
| 30 | LH18 | B-A5H2 | + (strong) | + (medium) |
| 31 | LH18 | A-A3H2 | + (strong)b | − |
| 32 | LH18 | B-A3H2 | + (strong)b | − |
aThese crosspeaks were superimposed.
bThese crosspeaks were superimposed.