6V5L
The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 3D HNCACB |
| 10 | 2 | 2 | F1 13C 15N filtered 3D NOESY 13C HSQC |
| 2 | 1 | 1 | 3D CBCA(CO)NH |
| 3 | 1 | 1 | 3D HNCO |
| 4 | 1 | 1 | 3D NOESY 15N HSQC |
| 6 | 1 | 1 | 2D 15N HSQC |
| 7 | 2 | 2 | 2D 13C HSQC |
| 8 | 2 | 2 | 3D CCH-TOCSY |
| 9 | 2 | 2 | 3D NOESY 13C HSQC |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 7.4 | 1 | 298 |
| 2 | 7.4 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 1000 |
| Conformers Submitted Total Number | 10 |
