BMRB Entry 15749
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15749
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Title: D,L-Peptide Foldamers: A Curved Structure in PBS PubMed: 19784965
Deposition date: 2008-05-02 Original release date: 2009-09-29
Authors: Clark, Thomas; Kulp, John
Citation: Kulp, John; Clark, Thomas. "Engineering a beta-Helical d,l-Peptide for Folding in Polar Media" Chemistry 15, 11867-11877 (2009).
Assembly members:
PBS, 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):
PBS: LEVRLTATVPGAELKVTLTA
PG
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 168 |
| coupling constants | 20 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PBS | 1 |
Entities:
Entity 1, PBS 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 2.5 mM; PBS Buffer 1 mM; D2O 10 v/v %; H2O 90 v/v %
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | 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 - refinement, structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMR, Varian - collection
SPARKY, Goddard - data analysis, peak picking
NMR spectrometers:
- Bruker AMX 500 MHz