BMRB Entry 30749
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30749
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Title: Solution structure of the seed peptide C2 (VBP-1) from pumpkin PubMed: 32997497
Deposition date: 2020-04-29 Original release date: 2020-10-19
Authors: Payne, C.; Rosengren, K.
Citation: Payne, Colton; Vadlamani, Grishma; Fisher, Mark; Zhang, Jingjing; Clark, Richard; Mylne, Joshua; Rosengren, K Johan. "Defining the Familial Fold of the Vicilin-Buried Peptide Family" J. Nat. Prod. ., .-. (2020).
Assembly members:
entity_1, polymer, 49 residues, 5844.458 Da.
Natural source: Common Name: Pumpkin Taxonomy ID: 3661 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Cucurbita maxima
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XRGSPRAEYEVCRLRCQVAE
RGVEQQRKCEQVCEERLRER
EQGRGEDVD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 87 |
| 15N chemical shifts | 43 |
| 1H chemical shifts | 311 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 49 residues - 5844.458 Da.
| 1 | PCA | ARG | GLY | SER | PRO | ARG | ALA | GLU | TYR | GLU | ||||
| 2 | VAL | CYS | ARG | LEU | ARG | CYS | GLN | VAL | ALA | GLU | ||||
| 3 | ARG | GLY | VAL | GLU | GLN | GLN | ARG | LYS | CYS | GLU | ||||
| 4 | GLN | VAL | CYS | GLU | GLU | ARG | LEU | ARG | GLU | ARG | ||||
| 5 | GLU | GLN | GLY | ARG | GLY | GLU | ASP | VAL | ASP |
Samples:
sample_1: C2 2 mg/mL
sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 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 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - processing
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts