BMRB Entry 30544

Title:
NMR solution structure of Protonectin (Agelaia pallipes pallipes) interacting with SDS micelles: an antimicrobial peptide with anticancer activity on breast cancer cells
Deposition date:
2018-11-26
Original release date:
2020-05-29
Authors:
Fadel, V.; Martins, D.; Dos Santos Cabrera, M.
Citation:

Citation: Batista Martins, Danubia; Fadel, Valmir; Oliveira, Filipa; Gaspar, Diana; Alvares, Dayane; Castanho, Miguel; Dos Santos Cabrera, Marcia Perez. "Protonectin peptides target lipids, act at the interface and selectively kill metastatic breast cancer cells while preserving morphological integrity"  J. Colloid Interface Sci. 601, 517-530 (2021).
PubMed: 34090029

Assembly members:

Assembly members:
entity_1, polymer, 13 residues, 1209.566 Da.

Natural source:

Natural source:   Common Name: Neotropical social wasp   Taxonomy ID: 313352   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Agelaia pallipes

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ILGTILGLLKGLX

Data sets:
Data typeCount
1H chemical shifts101

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 13 residues - 1209.566 Da.

1   ILELEUGLYTHRILELEUGLYLEULEULYS
2   GLYLEUNH2

Samples:

sample_1: Protonectin 1 mM; SDS, [U-2H], 100 mM

sample_conditions_1: pH: 5.0; 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 DQF-COSYsample_1isotropicsample_conditions_1

Software:

CARA v1.9.1.7, Keller and Wuthrich - data analysis

CANDID, Herrmann, Guntert and Wuthrich - data analysis

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

GROMACS, Berendsen, Herman - refinement

NMR spectrometers:

  • Varian UNITY 600 MHz