2MLM
Solution structure of sortase A from S. aureus in complex with benzo[d]isothiazol-3-one based inhibitor
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Varian | INOVA | Varian INOVA | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 2 | 1 | 1 | 3D HNCA |
| 3 | 1 | 1 | 3D CBCA(CO)NH |
| 4 | 1 | 1 | 3D 1H-15N NOESY |
| 5 | 1 | 1 | 3D 1H-13C NOESY aliphatic |
| 6 | 1 | 1 | 3D 1H-13C NOESY aromatic |
| 7 | 1 | 1 | 3D (F1)-15N,13C-filtered 1H-13C NOESY aliphatic |
| 8 | 1 | 1 | 2D (F1,F2)-13C,15N-filtered NOESY |
| 9 | 1 | 1 | 2D (F1,F2)-13C,15N-filtered TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6 | ambient | 298 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
