SOLUTION STRUCTURE OF HUMAN P8-MTCP1, A CYSTEINE-RICH PROTEIN ENCODED BY THE MTCP1 ONCOGENE,REVEALS A NEW ALPHA-HELICAL ASSEMBLY MOTIF, NMR, 30 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 10mM PO4 mM | 6.5 | 1 atm | 298 | |||
| 2 | COSY | 10mM PO4 mM | 6.5 | 1 atm | 298 | |||
| 3 | TOCSY | 10mM PO4 mM | 6.5 | 1 atm | 298 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY AND RESTRAINED MOLECULAR DYNAMICS | THE 3D STRUCTURE OF P8-MTCP1 IN SOLUTION BY NMR IS BASED ON 931 APPROXIMATE INTERPROTON DISTANCE RESTRAINTS AND 57 TORSION ANGLE RESTRAINTS DERIVED FROM NOE AND COUPLING CONSTANT MEASUREMENTS. THE STRUCTURES ARE CALCULATED USING THE DISTANCE GEOMETRY DIANA METHOD AND REFINED USING A SIMULATED-ANNEALING PROTOCOL WITH THE PROGRAM AMBER 4.1. | Amber |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 30 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Amber | 4.1 | PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN |
| 2 | structure solution | UXNMR | ||
| 3 | structure solution | Gifa | ||
| 4 | structure solution | DIANA | P. GUNTERT AND K. WUTHRICH | |
| 5 | structure solution | Amber | PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN | |
