BMRB Entry 30203
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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/BMR30203
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Title: Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
Deposition date: 2016-11-14 Original release date: 2016-12-09
Authors: Hoang, H.
Citation: Hoang, H.. "Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide" . ., .-..
Assembly members:
entity_1, polymer, 14 residues, 1270.445 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: AAAXARAARAARAX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 26 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 14 residues - 1270.445 Da.
| 1 | ALA | ALA | ALA | UN1 | ALA | ARG | ALA | ALA | ARG | ALA | ||||
| 2 | ALA | ARG | ALA | NH2 |
Samples:
sample_1: peptide 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 NOESY | sample_1 | anisotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - chemical shift assignment, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker AvanceIII 600 MHz