BMRB Entry 30338
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/BMR30338
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
Title: PawL-Derived Peptide PLP-4 PubMed: 30417166
Deposition date: 2017-09-05 Original release date: 2018-03-01
Authors: Fisher, M.; Mylne, J.; Howard, M.
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).
Assembly members:
GLY-LEU-LEU-GLY-ILE-THR-ASP, polymer, 7 residues, 687.784 Da.
Natural source: Common Name: Senecio pinnatifolius Taxonomy ID: 904569 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Senecio pinnatifolius
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
GLY-LEU-LEU-GLY-ILE-THR-ASP: GLLGITD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 14 |
| 1H chemical shifts | 45 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 7 residues - 687.784 Da.
| 1 | GLY | LEU | LEU | GLY | ILE | THR | ASP |
Samples:
sample_1: PLP-4 1.0 ± 0.2 mg/mL
sample_conditions_1: ionic strength: 1.2 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D ROESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY 80 | 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 20 | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR v2.4.2, CCPN - data analysis
TOPSPIN v3.5, Bruker Biospin - collection
YASARA v16.7.22, Elmar Krieger - refinement, structure calculation
NMR spectrometers:
- Bruker AvanceIII 600 MHz