BMRB: 36069

Esculentin-1a(1-21)NH2

Authors

Ghosh, A., Bhunia, A.

Assembly

Esculentin-1A

Entity

1. Esculentin-1A (polymer, Thiol state: not present), 21 monomers, 2185.695 Da Detail

GIFSKLAGKK IKNLLISGLK G

Formula weight

2185.695 Da

Source organism

Pelophylax lessonae

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 70.1 %, Completeness (bb): 54.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	70.1 % (96 of 137)	70.1 % (96 of 137)
Backbone	54.3 % (25 of 46)	54.3 % (25 of 46)
Sidechain	78.0 % (71 of 91)	78.0 % (71 of 91)
Aromatic	80.0 % (4 of 5)	80.0 % (4 of 5)
Methyl	80.0 % (12 of 15)	80.0 % (12 of 15)

1. Esculentin-1A

GIFSKLAGKK IKNLLISGLK G

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 4.5 (±0.1), Details 1.0 mM Esculentin-1a, 55.55 M H2O, 125 mM d38-DPC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Esculentin-1a	natural abundance	protein	1.0 mM
2	d38-DPC	[U-98% 2H]		125 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

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Calculated from 20 models in PDB: 5XDJ, Strand ID: A Detail

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Release date

2018-01-17

Citation

Membrane perturbing activities and structural properties of the frog-skin derived peptide Esculentin-1a(1-21)NH₂ and its Diastereomer Esc(1-21)-1c: Correlation with their antipseudomonal and cytotoxic activity
Loffredo, M.R., Ghosh, A., Harmouche, N., Casciaro, B., Luca, V., Bortolotti, A., Cappiello, F., Stella, L., Bhunia, A., Bechinger, B., Mangoni, M.L.
Biochim. Biophys. Acta (2017), 1859, 2327-2339, PubMed 28912103 , DOI 10.1016/j.bbamem.2017.09.009 , Abstract

Related entities 1. Esculentin-1A, : 1 : 1 : 3 : 11 entities Detail

Experiments performed 2 experiments Detail