BMRB Entry 34253
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34253
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Title: The solution NMR structure of [C18S,C24S]brevinin-1BYa in 33% trifluoroethanol
Deposition date: 2018-03-28 Original release date: 2019-10-10
Authors: Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.
Citation: Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.. "Structural studies of the antimicrobial peptide Brevinin-1BYa and its analogue [C18S,C24S]Brevinin-1BYa" . ., .-..
Assembly members:
entity_1, polymer, 24 residues, 2581.185 Da.
Natural source: Common Name: Foothill yellow-legged frog Taxonomy ID: 160499 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rana boylii
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: FLPILASLAAKFGPKLFSLV
TKKS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 172 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 24 residues - 2581.185 Da.
| 1 | PHE | LEU | PRO | ILE | LEU | ALA | SER | LEU | ALA | ALA | ||||
| 2 | LYS | PHE | GLY | PRO | LYS | LEU | PHE | SER | LEU | VAL | ||||
| 3 | THR | LYS | LYS | SER |
Samples:
sample_1: [C18S,C24S]brevinin-1BYa 1.5 mM
sample_conditions_1: pH: 7; pressure: 100000 Pa; 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:
CYANA, Guntert P. - structure calculation
NMRFAM-Sparky, NATIONAL MAGNETIC RESONANCE FACILITY AT MADISON - peak picking
NMR spectrometers:
- Bruker DRX 500 MHz