BMRB: 30544

NMR solution structure of Protonectin (Agelaia pallipes pallipes) interacting with SDS micelles: an antimicrobial peptide with anticancer activity on breast cancer cells

Authors

Fadel, V., Martins, D.B., Dos Santos Cabrera, M.P.

Assembly

Protonectin

Entity

1. Protonectin (polymer, Thiol state: not present), 13 monomers, 1208.558 Da Detail

ILGTILGLLK GLX

Formula weight

1208.558 Da

Source organism

Agelaia pallipes

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 92.3 %, Completeness: 94.4 %, Completeness (bb): 96.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	94.4 % (68 of 72)	94.4 % (68 of 72)
Backbone	96.3 % (26 of 27)	96.3 % (26 of 27)
Sidechain	93.3 % (42 of 45)	93.3 % (42 of 45)
Methyl	93.3 % (14 of 15)	93.3 % (14 of 15)

1. entity 1

ILGTILGLLK GLX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0, Details 1 mM Protonectin, 100 mM Perdeuterated SDS, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Protonectin	natural abundance		1 mM
2	SDS	[U-2H]		100 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 6N68, Strand ID: A Detail

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Release date

2018-11-29

Citation

Protonectin peptides target lipids, act at the interface and selectively kill metastatic breast cancer cells while preserving morphological integrity
Batista Martins, D., Fadel, V., Oliveira, F.D., Gaspar, D., Alvares, D.S., Castanho, M., Dos Santos Cabrera, M.P.
J. Colloid Interface Sci. (2021), 601, 517-530, PubMed 34090029 , DOI 10.1016/j.jcis.2021.05.115 , Abstract

Related entities 1. Protonectin, : 1 : 1 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail