BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 26064

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

Data sets:
Data typeCount
13C chemical shifts43
15N chemical shifts11
1H chemical shifts94

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

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   GLYPROCYSPHEPROMETGLYPROTRPGLY
2   PROPHECYSILEPROASP

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:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_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