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 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: Martins, D.; Fadel, V.; Oliveira, F.; Gaspar, D.; Castanho, M.; Dos Santos Cabrera, M.. "Short Wasp Venom Peptide Protonectin Targets Lipids, Acts at the Interface and Kills Cancer Cells While Preserving Morphological Integrity."  . ., .-..

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

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: ILGTILGLLKGLX

Data sets:
Data typeCount
1H chemical shifts101

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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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