BMRB Entry 30544
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30544
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR solution structure of Protonectin (Agelaia pallipes pallipes) interacting with SDS micelles: an antimicrobial peptide with anticancer activity on breast cancer cells PubMed: 34090029
Deposition date: 2018-11-26 Original release date: 2020-05-29
Authors: Fadel, V.; Martins, D.; Dos Santos Cabrera, M.
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).
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
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 101 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 13 residues - 1209.566 Da.
| 1 | ILE | LEU | GLY | THR | ILE | LEU | GLY | LEU | LEU | LYS | ||||
| 2 | GLY | LEU | NH2 |
Samples:
sample_1: Protonectin 1 mM; SDS, [U-2H], 100 mM
sample_conditions_1: pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_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