BMRB Entry 30579
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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/BMR30579
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Title: NMR solution structure of vicilin-buried peptide-8 (VBP-8) PubMed: 30973714
Deposition date: 2019-02-27 Original release date: 2019-04-18
Authors: Rosengren, K.; Payne, C.
Citation: Zhang, J.; Payne, C.; Pouvreau, B.; Schaefer, H.; Fisher, M.; Taylor, N.; Berkowitz, O.; Whelan, J.; Rosengren, K.; Mylne, J.. "An ancient peptide family buried within vicilin precursors." ACS Chem. Biol. 14, 979-993 (2019).
Assembly members:
entity_1, polymer, 49 residues, 6007.551 Da.
Natural source: Common Name: Tomato Taxonomy ID: 4081 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Solanum lycopersicum
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RGPDKSYKRLQECQRRCQSE
QQGQRLQECQQRCQQEYQRE
KGQHQGETN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 90 |
| 15N chemical shifts | 46 |
| 1H chemical shifts | 316 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 49 residues - 6007.551 Da.
| 1 | ARG | GLY | PRO | ASP | LYS | SER | TYR | LYS | ARG | LEU | ||||
| 2 | GLN | GLU | CYS | GLN | ARG | ARG | CYS | GLN | SER | GLU | ||||
| 3 | GLN | GLN | GLY | GLN | ARG | LEU | GLN | GLU | CYS | GLN | ||||
| 4 | GLN | ARG | CYS | GLN | GLN | GLU | TYR | GLN | ARG | GLU | ||||
| 5 | LYS | GLY | GLN | HIS | GLN | GLY | GLU | THR | ASN |
Samples:
sample_1: VBP-8 2 mg/mL
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 288 K
sample_conditions_3: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 293 K
sample_conditions_4: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 303 K
sample_conditions_5: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 308 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-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_3 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_4 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_5 |
Software:
TopSpin v4, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
CYANA v3.9, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
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