BMRB Entry 30337
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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/BMR30337
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Fisher, Mark; Zhang, Jingjing; Taylor, Nicolas; Howard, Mark; Berkowitz, Oliver; Debowski, Aleksandra; Behsaz, Bahar; Whelan, James; Pevzner, Pavel; Mylne, Joshua. "A family of small, cyclic peptides buried in preproalbumin since the Eocene epoch" Plant Direct 2, e00042-e00042 (2018).
PubMed: 30417166
Assembly members:
PLP-12, polymer, 8 residues, 828.867 Da.
Natural source: Common Name: old-man-in-the-Spring Taxonomy ID: 76276 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Senecio Vulgaris
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PLP-12: FVGGTSFD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 19 |
| 1H chemical shifts | 41 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 8 residues - 828.867 Da.
| 1 | PHE | VAL | GLY | GLY | THR | SER | PHE | ASP |
Samples:
sample_1: PLP-12 1.0 ± 0.3 mg/mL
sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY 20 ms | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY 80 ms | sample_1 | isotropic | sample_conditions_1 |
Software:
Analysis v2.4.2, CCPN - data analysis
TOPSPIN v3.5, Bruker Biospin - collection
YASARA v16.7.22, Elmar Krieger - structure calculation
NMR spectrometers:
- Bruker AvanceIII 600 MHz
- Bruker AvanceIII 500 MHz