BMRB Entry 30202
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30202
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Hoang, H.; Fairlie, D.. "Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide" .
Assembly members:
entity_1, polymer, 5 residues, 458.513 Da.
Natural source: Common Name: Greater dwarf lemur Taxonomy ID: 47177 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Cheirogaleus major
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: ARAXX
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 8 |
| coupling constants | 4 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 5 residues - 458.513 Da.
| 1 | ALA | ARG | ALA | UN1 | NH2 |
Samples:
sample_1: peptide 1 ± 0.1 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H ROESY | sample_1 | anisotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - chemical shift assignment, peak picking
Xplor, Xplor-NIH - refinement
NMR spectrometers:
- Bruker AvanceIII 600 MHz