BMRB Entry 30748
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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/BMR30748
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Title: Solution structure of vicilin-buried peptide-10 from cucumber 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. 83, 3030-3040 (2020).
Assembly members:
entity_1, polymer, 35 residues, 4328.845 Da.
Natural source: Common Name: Cucumber Taxonomy ID: 3659 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Cucumis sativus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XKETEICRQWCQVMKPQGGE
EQRRCQQECEERLRD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 81 |
| 1H chemical shifts | 225 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 35 residues - 4328.845 Da.
| 1 | PCA | LYS | GLU | THR | GLU | ILE | CYS | ARG | GLN | TRP | ||||
| 2 | CYS | GLN | VAL | MET | LYS | PRO | GLN | GLY | GLY | GLU | ||||
| 3 | GLU | GLN | ARG | ARG | CYS | GLN | GLN | GLU | CYS | GLU | ||||
| 4 | GLU | ARG | LEU | ARG | ASP |
Samples:
sample_1: VBP-10 1.5 mg/mL
sample_2: VBP-10 1.5 mg/mL
sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_2 | isotropic | sample_conditions_2 |
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