BMRB: 34367

NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa.

Authors

Brancaccio, D., Carotenuto, A., Merlino, F., Grieco, P., Novellino, E.

Assembly

PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2

Entity

1. PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 (polymer, Thiol state: not present), 14 monomers, 1690.103 Da Detail

FVXWFSKFLG RILX

Formula weight

1690.103 Da

Source organism

Pseudis bolbodactyla

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 85.7 %, Completeness: 88.8 %, Completeness (bb): 88.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	88.8 % (79 of 89)	88.8 % (79 of 89)
Backbone	88.0 % (22 of 25)	88.0 % (22 of 25)
Sidechain	89.1 % (57 of 64)	89.1 % (57 of 64)
Aromatic	85.7 % (18 of 21)	85.7 % (18 of 21)
Methyl	87.5 % (7 of 8)	87.5 % (7 of 8)

1. entity 1

FVXWFSKFLG RILX

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0, Details 200 mM [U-100% 2H] SDS, 10 % v/v [U-99% 2H] D2O, 2 mM peptide, 90 % v/v H2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SDS	[U-100% 2H]		200 mM
2	D2O	[U-99% 2H]		10 % v/v
3	peptide	natural abundance		2 mM
4	H2O	natural abundance		90 % v/v

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Protein Blocks Logo

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

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Release date

2019-10-02

Citation

The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L
Buommino, E., Carotenuto, A., Antignano, I., Bellavita, R., Casciaro, B., Loffredo, M.R., Merlino, F., Novellino, E., Mangoni, M.L., Nocera, F.P., Brancaccio, D., Punzi, P., Roversi, D., Ingenito, R., Bianchi, E., Grieco, P.
ChemMedChem (2019), 14, 1283-1290, PubMed 31087626 , DOI 10.1002/cmdc.201900221 , Abstract

Related entities 1. PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2, : 1 : 4 : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail