BMRB Entry 15748
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15748
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Citation: Kulp, John; Clark, Thomas. "Engineering a beta-Helical d,l-Peptide for Folding in Polar Media" Chemistry 15, 11867-11877 (2009).
PubMed: 19784965
Assembly members:
Beta-Hairpin/Beta-Helical Structure, polymer, 22 residues, 2238.646 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Beta-Hairpin/Beta-Helical Structure: LEVRLTATVPGAELKVTLTA
PG
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 162 |
| coupling constants | 20 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Beta-Hairpin/Beta-Helical Structure | 1 |
Entities:
Entity 1, Beta-Hairpin/Beta-Helical Structure 22 residues - 2238.646 Da.
| 1 | LEU | GLU | VAL | ARG | LEU | THR | ALA | THR | VAL | PRO | ||||
| 2 | GLY | ALA | GLU | LEU | LYS | VAL | THR | LEU | THR | ALA | ||||
| 3 | PRO | GLY |
Samples:
sample_1: entity, [U-13C], 2.5 mM; CD3OH 100 v/v %
sample_conditions_1: pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D ECOSY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
SPARKY, Goddard - peak picking
VNMR, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 600 MHz