BMRB Entry 30886

Title:
Solution NMR Structure of PawL-Derived Peptide PLP-42
Deposition date:
2021-03-16
Original release date:
2021-03-19
Authors:
Payne, C.; Rosengren, K.
Citation:

Citation: Payne, C.; Fisher, M.; Mylne, J.; Rosengren, K.. "Structural Characterization of the PawL-Derived Peptide Family, an Ancient Subfamily of Orbitides"  J. Nat. Prod. 84, 2914-2922 (2021).
PubMed: 34672199

Assembly members:

Assembly members:
entity_1, polymer, 8 residues, 952.061 Da.

Natural source:

Natural source:   Common Name: Sanvitalia procumbens   Taxonomy ID: 502543   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Sanvitalia procumbens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TFFNPVID

Data sets:
Data typeCount
13C chemical shifts20
15N chemical shifts6
1H chemical shifts44

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 - 952.061 Da.

1   THRPHEPHEASNPROVALILEASP

Samples:

sample_1: PLP-42 2 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: 298 K

sample_conditions_4: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 303 K

sample_conditions_5: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
2D 1H-1H TOCSYsample_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:

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMR spectrometers:

  • Bruker AVANCE III 900 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks