BMRB Entry 30544

Name: NMR solution structure of Protonectin (Agelaia pallipes pallipes) interacting with SDS micelles: an antimicrobial peptide with anticancer activity on breast cancer cells
Published: 2020-05-29

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PDB ID: 6n68
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30544
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	101

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

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