6ASF
NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence
Spectrometer
Experimental method: SOLUTION NMR
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Bruker | AVANCE | 600 | |
2 | Bruker | AVANCE III | 850 |
Experiment
experiment id | conditions id | solution id | Experiment type |
1 | 1 | 1 | 2D 1H-1H NOESY 100MS |
10 | 1 | 1 | 2D 1H-1H TOCSY |
2 | 1 | 1 | 2D 1H-1H NOESY 100MS |
3 | 1 | 1 | 2D 1H-1H NOESY 50MS |
4 | 1 | 1 | 2D 1H-1H NOESY 50MS |
5 | 1 | 1 | 2D 1H-1H NOESY 150MS |
6 | 1 | 1 | 2D 1H-1H NOESY 300MS |
7 | 1 | 1 | 2D 1H-1H CONSTANT TIME NOESY |
8 | 1 | 1 | 1D 31P |
9 | 1 | 1 | 1H, 31P-correlated 2D spectra (HPCOR) |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 6.3 | AMBIENT | 285 |
Conformers
Conformers Calculated Total Number | 11 |
Conformers Submitted Total Number | 11 |