1LMM
Solution Structure of Psmalmotoxin 1, the First Characterized Specific Blocker of ASIC1a NA+ channel
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | DQF-COSY | 2.9 mm | 3.6 | ambient | 283 | |||
| 2 | 2D TOCSY | 2.9 mm | 3.6 | ambient | 283 | |||
| 3 | 2D NOESY | 2.9 mm | 3.6 | ambient | 283 | |||
| 4 | DQF-COSY | 2.9 mm | 3.6 | ambient | 300 | |||
| 5 | 2D TOCSY | 2.9 mm | 3.6 | ambient | 300 | |||
| 6 | 2D NOESY | 2.9 mm | 3.6 | ambient | 300 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry, simulated annealing | XwinNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 20 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | XwinNMR | 2.6 | |
| 2 | processing | XwinNMR | 2.6 | |
| 3 | data analysis | XEASY | 1.3 | Bartels |
| 4 | structure solution | DIANA | 2.8 | Gnthert |
| 5 | refinement | CNS | 1.1 | Brunger |
