BMRB Entry 34366
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34366
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Title: NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli PubMed: 31087626
Deposition date: 2019-03-07 Original release date: 2019-10-10
Authors: Brancaccio, D.; Carotenuto, A.; Merlino, F.; Grieco, P.; Novellino, E.
Citation: Buommino, E.; Carotenuto, A.; Antignano, I.; Bellavita, R.; Casciaro, B.; Loffredo, M.; Merlino, F.; Novellino, E.; Mangoni, M.; Nocera, F.; Brancaccio, D.; Punzi, P.; Roversi, D.; Ingenito, R.; Bianchi, E.; Grieco, P.. "The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L." Chemmedchem 14, 1283-1290 (2019).
Assembly members:
entity_1, polymer, 14 residues, 1625.999 Da.
Natural source: Common Name: Pseudis bolbodactyla Taxonomy ID: 428381 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pseudis bolbodactyla
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: FVXWFSKFLGRILX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 112 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 14 residues - 1625.999 Da.
| 1 | PHE | VAL | JKH | TRP | PHE | SER | LYS | PHE | LEU | GLY | ||||
| 2 | ARG | ILE | LEU | NH2 |
Samples:
sample_1: peptide 2.0 mM; D2O, [U-99% 2H], 10%; SDS, [U-99% 2H], 200 mM; H2O 90%
sample_conditions_1: ionic strength: 0 mM; pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 700 MHz