1BUQ
SOLUTION STRUCTURE OF DELTA-5-3-KETOSTEROID ISOMERASE COMPLEXED WITH THE STEROID 19-NORTESTOSTERONE-HEMISUCCINATE
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Varian | UNITYPLUS | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D NOESY |
| 10 | 1 | 1 | 3D 1H-13C HMQC-NOESY-HSQC |
| 11 | 1 | 1 | 3D HNCO |
| 12 | 1 | 1 | 3D HNCACB |
| 2 | 1 | 1 | 2D TOCSY |
| 3 | 1 | 1 | 2D 1H-15N HSQC |
| 4 | 1 | 1 | 2D 1H-13C CT-HSQC |
| 5 | 1 | 1 | 3D 1H-13C-FILTERED NOESY-HSQC |
| 6 | 1 | 1 | 3D 1H-15N TOCSY-HSQC |
| 7 | 1 | 1 | 3D 1H-13C-NOESY-HSQC |
| 8 | 1 | 1 | 3D 1H-15N HMQC-NOESY-HSQC |
| 9 | 1 | 1 | 3D HCCH-TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 7.2 | 1 | 310 |
Conformers
| Conformers Calculated Total Number | 120 |
| Conformers Submitted Total Number | 15 |
