BMRB Entry 18644
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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/BMR18644
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Title: NMR solution structure of PawS Derived Peptide 5 (PDP-5) PubMed: 24681618
Deposition date: 2012-08-06 Original release date: 2013-08-15
Authors: Elliott, Alysha; Mylne, Joshua; Rosengren, Johan
Citation: Elliott, Alysha; Delay, Christina; Liu, Huanle; Phua, Zaiyang; Rosengren, K. Johan; Benfield, Aurelie; Panero, Jose; Colgrave, Michelle; Jayasena, Achala; Dunse, Kerry; Anderson, Marilyn; Schilling, Edward; Ortiz-Barrientos, Daniel; Craik, David; Mylne, Joshua. "Evolutionary Origins of a Bioactive Peptide Buried within Preproalbumin." Plant Cell 26, 981-995 (2014).
Assembly members:
PDP-5, polymer, 18 residues, 2262.706 Da.
Natural source: Common Name: Ox-eye Taxonomy ID: 192637 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Heliopsis helianthoides
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PDP-5: GRYRRCIPGMFRAYCYMD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 45 |
| 1H chemical shifts | 128 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PawS Derived Peptide 5 (PDP-5) | 1 |
Entities:
Entity 1, PawS Derived Peptide 5 (PDP-5) 18 residues - 2262.706 Da.
| 1 | GLY | ARG | TYR | ARG | ARG | CYS | ILE | PRO | GLY | MET | ||||
| 2 | PHE | ARG | ALA | TYR | CYS | TYR | MET | ASP |
Samples:
sample_1: PDP-5 2 mg/mL; Sodium phosphate 20 mM; D2O 10%
sample_2: PDP-5 2 mg/mL; DMSO 10%; D2O 90%
sample_conditions_1: ionic strength: 0 M; pH: 6.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H ECOSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.0, Bruker Biospin - collection, processing
XEASY, Bartels et al. - data analysis
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 500 MHz