BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30881

Title: Solution NMR Structure of PawL-Derived Peptide PLP-13

Deposition date: 2021-03-16 Original release date: 2021-03-19

Authors: Payne, C.; Rosengren, K.

Citation: Payne, C.; Fisher, M.; Mylne, J.; Rosengren, K.. "Structural Characterization of the PawL-Derived Peptide Subfamily of Orbitides."  .

Assembly members:
entity_1, polymer, 8 residues, 820.930 Da.

Natural source:   Common Name: Senecio vulgaris   Taxonomy ID: 76276   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Senecio vulgaris

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: TFGVVIAD

Data sets:
Data typeCount
13C chemical shifts22
15N chemical shifts7
1H chemical shifts52

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 8 residues - 820.930 Da.

1   THRPHEGLYVALVALILEALAASP

Samples:

sample_1: PLP-13 4 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 288 K

sample_conditions_2: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 293 K

sample_conditions_3: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 293 K

sample_conditions_4: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 293 K

sample_conditions_5: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_3
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
2D 1H-13C HSQCsample_1isotropicsample_conditions_3
2D 1H-15N HSQCsample_1isotropicsample_conditions_3
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_5
2D 1H-1H TOCSYsample_1isotropicsample_conditions_4
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2

Software:

TopSpin, Bruker Biospin - processing

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

  • Bruker AVANCE III 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts