BMRB Entry 34274
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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/BMR34274
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Title: NMR structure of temporin B in SDS micelles PubMed: 30718667
Deposition date: 2018-05-12 Original release date: 2018-06-18
Authors: Manzo, G.; Mason, J.
Citation: Manzo, Giorgia; Ferguson, Philip; Gustilo, V Benjamin; Hind, Charlotte; Clifford, Melanie; Bui, Tam; Drake, Alex; Atkinson, R Andrew; Sutton, J Mark; Batoni, Giovanna; Lorenz, Christian; Phoenix, David; Mason, A James. "Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity" Sci. Rep. 9, 1385-1385 (2019).
Assembly members:
Temporin-B, polymer, 13 residues, 1393.778 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):
Temporin-B: LLPIVGNLLKSLL
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
1H chemical shifts | 91 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 13 residues - 1393.778 Da.
1 | LEU | LEU | PRO | ILE | VAL | GLY | ASN | LEU | LEU | LYS | ||||
2 | SER | LEU | LEU |
Samples:
sample_1: deuterated sodium dodecyl sulphate, U-98% 2H, 100 mM; temporin B 2 mM; 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, 2H, 0.05 % w/w
sample_conditions_1: pH: 7.00; 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:
DYNAMO, Delaglio and Kuszewski - refinement, structure calculation
CARA v1.9.1.2, Keller and Wuthrich - chemical shift assignment
TOPSPIN, Bruker Biospin - processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking
NMR spectrometers:
- Bruker Avance 500 MHz