BMRB: 34366

NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli

Authors

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

Assembly

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

Entity

1. PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 (polymer, Thiol state: not present), 14 monomers, 1623.982 Da Detail

FVXWFSKFLG RILX

Formula weight

1623.982 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: 95.5 %, Completeness (bb): 96.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	95.5 % (85 of 89)	95.5 % (85 of 89)
Backbone	96.0 % (24 of 25)	96.0 % (24 of 25)
Sidechain	95.3 % (61 of 64)	95.3 % (61 of 64)
Aromatic	85.7 % (18 of 21)	85.7 % (18 of 21)
Methyl	100.0 % (8 of 8)	100.0 % (8 of 8)

1. entity 1

FVXWFSKFLG RILX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0, Details 2.0 mM peptide, 10 % [U-99% 2H] D2O, 200 mM [U-99% 2H] SDS, 90 % H2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	peptide	natural abundance		2.0 mM
2	D2O	[U-99% 2H]		10 %
3	SDS	[U-99% 2H]		200 mM
4	H2O	natural abundance		90 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 6QXB, 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

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. PHE-VAL-CAP-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