2I7U
Structural and Dynamical Analysis of a Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | 800 | |
| 2 | Bruker | AVANCE | 700 | |
| 3 | Bruker | AVANCE | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 3D_15N-separated_NOESY |
| 10 | 1 | 1 | HBHA(CO)NH |
| 11 | 1 | 1 | HBHANH |
| 12 | 1 | 1 | R1 Relaxation |
| 13 | 1 | 1 | R2 Relaxation |
| 14 | 1 | 1 | Heteronuclear NOE |
| 2 | 1 | 1 | 3D_13C-separated_NOESY |
| 3 | 1 | 1 | HNCO |
| 4 | 1 | 1 | CBCACONH |
| 5 | 1 | 1 | HNCACB |
| 6 | 1 | 1 | 2D NOESY |
| 7 | 1 | 1 | HSQC |
| 8 | 1 | 1 | HNCA |
| 9 | 1 | 1 | HNCOCA |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 4.5 | ambient | 308 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
