BMRB Entry 26824
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26824
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Title: Lunasin assignment (reduced form) PubMed: 27639324
Deposition date: 2016-06-21 Original release date: 2016-07-20
Authors: Aleksis, Rihards; Jaudzems, Kristaps; Muceniece, Ruta; Liepinsh, Edvards
Citation: Aleksis, Rihards; Jaudzems, Kristaps; Muceniece, Ruta; Liepinsh, Edvards. "Lunasin is a redox sensitive intrinsically disordered peptide with two transiently populated \u03b1-helical regions" Peptides 85, 56-62 (2016).
Assembly members:
Lunasin, polymer, 43 residues, Formula weight is not available
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: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Lunasin: SKWQHQQDSCRKQLQGVNLT
PCEKHIMEKIQGRGDDDDDD
DDD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 249 |
| 15N chemical shifts | 101 |
| 1H chemical shifts | 570 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Lunasin | 1 |
Entities:
Entity 1, Lunasin 43 residues - Formula weight is not available
| 1 | SER | LYS | TRP | GLN | HIS | GLN | GLN | ASP | SER | CYS | ||||
| 2 | ARG | LYS | GLN | LEU | GLN | GLY | VAL | ASN | LEU | THR | ||||
| 3 | PRO | CYS | GLU | LYS | HIS | ILE | MET | GLU | LYS | ILE | ||||
| 4 | GLN | GLY | ARG | GLY | ASP | ASP | ASP | ASP | ASP | ASP | ||||
| 5 | ASP | ASP | ASP |
Samples:
Lunasin_sample: Lunasin, [U-99% 15N], 1 mM; D2O, [U-99% 2H], 7%; H2O 93%; sodium phosphate 20 mM; sodium azide 0.03%
pH35: ionic strength: 20 mM; pH: 3.5; pressure: 1 atm; temperature: 273 K
pH65: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | Lunasin_sample | isotropic | pH35 |
| 2D 1H-1H TOCSY | Lunasin_sample | isotropic | pH35 |
| 2D 1H-1H NOESY | Lunasin_sample | isotropic | pH35 |
| 3D 1H-15N NOESY | Lunasin_sample | isotropic | pH35 |
| 2D 1H-13C HSQC aliphatic | Lunasin_sample | isotropic | pH35 |
| 2D 1H-15N HSQC | Lunasin_sample | isotropic | pH65 |
| 2D 1H-1H TOCSY | Lunasin_sample | isotropic | pH65 |
| 2D 1H-1H NOESY | Lunasin_sample | isotropic | pH65 |
| 3D 1H-15N NOESY | Lunasin_sample | isotropic | pH65 |
| 2D 1H-13C HSQC aliphatic | Lunasin_sample | isotropic | pH65 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts