structure of hetero complex of non structural protein (NS) of hepatitis C virus (HCV) and synthetic peptidic compound
SOLUTION NMR
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 500 |
| 2 | Bruker | DMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. RESIDUES OF NS3 1-21 ARE NOT INCLUDED IN THE MODELS SINCE THEY ARE AFFECTED BY MOBILITY IN SOLUTION. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE EXPERIMENTS, 3D HETERONUCLEAR NOESY EXPERIMENTS, 3D AND 2D COUPLING CONSTANT MEASUREMENTS, 10% GLUCOSE C13 LABELLING FOR METHYL STEREOSPECIFIC ASSINGMENT, COMBINED USE OF SEVERAL COUPLING CONSTANTS AND ROESY SPECTROSCOPY TO DETERMINE CHI1 ANGLES. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.851 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
