BMRB Entry 34283
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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/BMR34283
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Title: NMR structure of temporin L in SDS micelles
Deposition date: 2018-06-13 Original release date: 2018-07-13
Authors: Manzo, G.; Mason, J.
Citation: Manzo, G.; Ferguson, P.; Gustilo, V.; Hind, A.; Bui, T.; Atkinson, R.; Lorenz, C.; Phoenix, D.; Mason, J.. "Parallel evolution of frog antimicrobial peptides produces identical conformations but subtly distinct membrane activity and spectrum of potency" . ., .-..
Assembly members:
entity_1, polymer, 13 residues, 1642.983 Da.
Natural source: Common Name: European common frog Taxonomy ID: 8407 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rana temporaria
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: FVQWFSKFLGRIL
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 92 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 13 residues - 1642.983 Da.
| 1 | PHE | VAL | GLN | TRP | PHE | SER | LYS | PHE | LEU | GLY | ||||
| 2 | ARG | ILE | LEU |
Samples:
sample_1: Temporin L 2 mM; deuterated sodium dodecyl sulphate, [U-2H], 100 mM; 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, [U-2H], 0.05 % w/w
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - processing
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
X-PLOR, Brunger - refinement, structure calculation
NMR spectrometers:
- Bruker Avance 500 MHz