2K0G
Solution Structure of a Bacterial Cyclic Nucleotide-Activated K+ Channel Binding Domain in Complex with cAMP
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 0.5 mM [U-100% 13C; U-100% 15N] MlCNBD Protein, 0.5 mM [U-100% 13C; U-100% 15N] ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, 95% H2O, 5% D2O | 95% H2O/5% D2O | 100 mM KCl | 7.0 | ambient | 298 | |
| 2 | 3D_13C-separated_NOESY | 0.5 mM [U-100% 13C; U-100% 15N] MlCNBD Protein, 0.5 mM [U-100% 13C; U-100% 15N] ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, 95% H2O, 5% D2O | 95% H2O/5% D2O | 100 mM KCl | 7.0 | ambient | 298 | |
| 3 | 3D_13C-separated_NOESY | 0.5 mM [U-100% 13C; U-100% 15N] MlCNBD Protein, 0.5 mM [U-100% 13C; U-100% 15N] ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, 100 % D2O | 100% D2O | 100 mM KCl | 7.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | Unity INOVA with cryogenic triple resonance probe | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | The NMR structure ensemble is based on total of 2388 NOE-derived distance constraints. | VnmrJ |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | 15 structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 15 |
| Representative Model | 1 (lowest energy and fewest violations) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | VnmrJ | 1.1d | Varian |
| 2 | processing | NMRPipe | 3.0 | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
| 3 | data analysis | CARA | 1.8.4 | Keller and Wuthrich |
| 4 | chemical shift assignment | CARA | 1.8.4 | Keller and Wuthrich |
| 5 | peak picking | CARA | 1.8.4 | Keller and Wuthrich |
| 6 | structure solution | ATNOS/CANDID | 1.1 | Herrmann, Guntert and Wuthrich |
| 7 | refinement | ATNOS/CANDID | 1.1 | Herrmann, Guntert and Wuthrich |
| 8 | structure solution | CYANA | 1.1 | Guntert, Mumenthaler and Wuthrich |
| 9 | refinement | CYANA | 1.1 | Guntert, Mumenthaler and Wuthrich |
