BMRB Entry 30424
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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/BMR30424
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Title: LyeTxI-b, a synthetic peptide derived from Lycosa erythrognatha spider venom, shows potent antibiotic activity, in vitro and in vivo PubMed: 29681894
Deposition date: 2018-03-01 Original release date: 2018-05-24
Authors: de Lima, M.; dos Reis, P.; Resende, J.; Verly, R.
Citation: Reis, Pablo; Boff, Daiane; Verly, Rodrigo; Melo-Braga, Marcella; Cortes, Maria; Santos, Daniel; Pimenta, Adriano; Amaral, Flavio; Resende, Jarbas; de Lima, Maria. "LyeTxI-b, a Synthetic Peptide Derived From Lycosa erythrognatha Spider Venom, Shows Potent Antibiotic Activity in Vitro and in Vivo" Front. Microbiol. 9, 667-667 (2018).
Assembly members:
entity_1, polymer, 26 residues, 2725.407 Da.
Natural source: Common Name: Spider Taxonomy ID: 332789 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lycosa erythrognatha
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XIWLTALKFLGKNLGKLAKQ
QLAKLX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 75 |
| 15N chemical shifts | 29 |
| 1H chemical shifts | 170 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 26 residues - 2725.407 Da.
| 1 | ACE | ILE | TRP | LEU | THR | ALA | LEU | LYS | PHE | LEU | ||||
| 2 | GLY | LYS | ASN | LEU | GLY | LYS | LEU | ALA | LYS | GLN | ||||
| 3 | GLN | LEU | ALA | LYS | LEU | NH2 |
Samples:
sample_1: LyeTxI-b 2 mM; phosphate buffer 20 mM; DSS 1 mM
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 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 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN, Bruker Biospin - collection
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
Molmol, Koradi, Billeter and Wuthrich - data analysis
TALOS, Cornilescu, Delaglio and Bax - structure calculation
NMR spectrometers:
- Bruker Avance III 600 600.043 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts