BMRB Entry 26064
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26064
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Title: NMR solution structure of PawS Derived Peptide 22 (PDP-22) PubMed: 27352920
Deposition date: 2016-07-17 Original release date: 2016-12-01
Authors: Franke, Bastian; Jayasena, Achala; Fisher, Mark; Swedberg, Joakim; Taylor, Nicolas; Mylne, Joshua; Rosengren, K. Johan
Citation: Franke, Bastian; Jayasena, Achala; Fisher, Mark; Swedberg, Joakim; Taylor, Nicolas; Mylne, Joshua; Rosengren, K. Johan. "Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana)" Biopolymers 106, 806-817 (2016).
Assembly members:
PawS_Derived_Peptide_22_(PDP-22), polymer, 16 residues, 1721.035 Da.
Natural source: Common Name: eudicots Taxonomy ID: 1525732 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Zinnia haageana
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PawS_Derived_Peptide_22_(PDP-22): GPCFPMGPWGPFCIPD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 43 |
| 15N chemical shifts | 11 |
| 1H chemical shifts | 94 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 16 residues - 1721.035 Da.
This peptide is naturally head-to-tail backbone cyclised. It has an amide bond between the N- and C- terminus.
| 1 | GLY | PRO | CYS | PHE | PRO | MET | GLY | PRO | TRP | GLY | ||||
| 2 | PRO | PHE | CYS | ILE | PRO | ASP |
Samples:
sample_1: PawS Derived Peptide 22 (PDP-22) 2 mg/mL
sample_conditions_1: pressure: 1 atm; temperature: 298 K
sample_conditions_2: pressure: 1 atm; temperature: 298 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-13C HSQC | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
ccpNmr, ccpnmr - data analysis, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts