BMRB Entry 25962
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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/BMR25962
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Title: NMR solution structure of PawS Derived Peptide 9 (PDP-9) PubMed: 27695949
Deposition date: 2016-01-24 Original release date: 2016-06-27
Authors: Armstrong, David; Franke, Bastian; Elliott, Alysha; Mylne, Joshua; Rosengren, K. Johan
Citation: Elliott, Alysha; Franke, Bastian; Armstrong, David; Craik, David; Mylne, Joshua; Rosengren, K. Johan. "Natural Structural Diversity Within a Conserved Cyclic Peptide Scaffold" Amino Acids 49, 103-116 (2017).
Assembly members:
PawS_Derived_Peptide_9_(PDP-9), polymer, 17 residues, 1938.108 Da.
Natural source: Common Name: Perymenium macrocephalum Taxonomy ID: 183067 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Perymenium macrocephalum
Experimental source: Production method: chemical synthesis Host organism: Not applicable
Entity Sequences (FASTA):
PawS_Derived_Peptide_9_(PDP-9): GDCYWTSTPPFFTCTPD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 103 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 17 residues - 1938.108 Da.
| 1 | GLY | ASP | CYS | TYR | TRP | THR | SER | THR | PRO | PRO | ||||
| 2 | PHE | PHE | THR | CYS | THR | PRO | ASP |
Samples:
sample_1: PawS Derived Peptide 9 (PDP-9) 3 mg/mL; methanol (CD3OH) 100 v/v %
sample_2: PawS Derived Peptide 9 (PDP-9) 3 mg/mL; methanol (CD3OD), [U-2H], 100 v/v %
sample_conditions_1: pH: na; pressure: 1 atm; temperature: 288 K
sample_conditions_2: pH: na; pressure: 1 atm; temperature: 288 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_2 |
Software:
TOPSPIN v2, Bruker Biospin - collection, processing
XEASY, Bartels et al. - data analysis, peak picking
CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz