BMRB Entry 30580
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30580
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
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, 47 residues, 5712.459 Da.
Natural source: Common Name: Sponge gourd Taxonomy ID: 3670 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Luffa aegyptiaca
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: PRGSPRTEYEACRVRCQVAE
HGVERQRRCQQVCEKRLRER
EGRREVD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 103 |
| 15N chemical shifts | 44 |
| 1H chemical shifts | 301 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 47 residues - 5712.459 Da.
| 1 | PRO | ARG | GLY | SER | PRO | ARG | THR | GLU | TYR | GLU | ||||
| 2 | ALA | CYS | ARG | VAL | ARG | CYS | GLN | VAL | ALA | GLU | ||||
| 3 | HIS | GLY | VAL | GLU | ARG | GLN | ARG | ARG | CYS | GLN | ||||
| 4 | GLN | VAL | CYS | GLU | LYS | ARG | LEU | ARG | GLU | ARG | ||||
| 5 | GLU | GLY | ARG | ARG | GLU | VAL | ASP |
Samples:
sample_1: Luffin P1 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_5 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_4 |
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 Avence 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