BMRB Entry 30889

Title:
Solution NMR Structure of PawS-Derived Peptide PDP-24
Deposition date:
2021-03-19
Original release date:
2021-03-26
Authors:
Payne, C.; Rosengren, K.
Citation:

Citation: Payne, Colton; Vadlamani, Grishma; Hajiaghaalipour, Fatemeh; Muhammad, Taj; Fisher, Mark; Andersson, Hakan; Goransson, Ulf; Clark, Richard; Bond, Charles; Mylne, Joshua; Rosengren, K Johan. "Solution NMR and racemic crystallography provide insights into a novel structural class of cyclic plant peptides"  RSC Chem. Biol. 2, 1682-1691 (2021).
PubMed: 34977583

Assembly members:

Assembly members:
entity_1, polymer, 27 residues, 3038.417 Da.

Natural source:

Natural source:   Common Name: Zinnia haageana   Taxonomy ID: 1525732   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Zinnia haageana

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GFCWQHTCLPSGCADFPWPV GHQCFPD

Data sets:
Data typeCount
13C chemical shifts60
15N chemical shifts22
1H chemical shifts169

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 27 residues - 3038.417 Da.

1   GLYPHECYSTRPGLNHISTHRCYSLEUPRO
2   SERGLYCYSALAASPPHEPROTRPPROVAL
3   GLYHISGLNCYSPHEPROASP

Samples:

sample_1: PDP-24 2 mg/mL

sample_2: PDP-24 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 TOCSYsample_1isotropicsample_conditions_3
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
2D 1H-13C HSQCsample_2isotropicsample_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

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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