7X2Z
NMR solution structure of the 1:1 complex of a pyridostatin derivative (PyPDS) bound to a G-quadruplex MYT1L
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-1H NOESY |
| 10 | 3 | 3 | 2D 1H-1H NOESY |
| 11 | 1 | 5 | 2D 1H-1H NOESY |
| 12 | 2 | 2 | 2D 1H-1H COSY |
| 13 | 3 | 3 | 2D 1H-1H COSY |
| 14 | 1 | 4 | 2D 1H-1H NOESY |
| 15 | 1 | 6 | 2D 1H-15N HSQC |
| 2 | 1 | 2 | 2D 1H-1H NOESY |
| 3 | 2 | 2 | 2D 1H-1H NOESY |
| 4 | 1 | 1 | 2D 1H-1H TOCSY |
| 5 | 1 | 2 | 2D 1H-1H TOCSY |
| 6 | 2 | 2 | 2D 1H-1H TOCSY |
| 7 | 1 | 2 | 2D 1H-1H COSY |
| 8 | 1 | 1 | 2D 1H-1H COSY |
| 9 | 3 | 3 | 2D 1H-1H TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 7 | 1 | 298 |
| 2 | 7 | 1 | 298 |
| 3 | 7 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 15 |
