BMRB Entry 19833
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19833
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Title: LsbB TFE PubMed: 24993828
Deposition date: 2014-03-05 Original release date: 2014-07-14
Authors: Kristiansen, Per Eugen; Ovchinnikov, Kirill; Diep, Dzung Bao
Citation: Ovchinnikov, Kirill; Kristiansen, Per; Uzelac, Gordana; Topisirovic, Ljubisa; Kojic, Milan; Nissen-Meyer, Jon; Nes, Ingolf; Diep, Dzung. "Defining the Structure and Receptor Binding Domain of the Leaderless Bacteriocin LsbB." J. Biol. Chem. 289, 23838-23845 (2014).
Assembly members:
Molecule_1, polymer, 30 residues, 3409.9902 Da.
Natural source: Common Name: Firmicutes Taxonomy ID: 1358 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactococcus lactis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Molecule_1: MKTILRFVAGYDIASHKKKT
GGYPWERGKA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 92 |
| 15N chemical shifts | 31 |
| 1H chemical shifts | 234 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | antimicrobial peptide LsbB | 1 |
Entities:
Entity 1, antimicrobial peptide LsbB 30 residues - 3409.9902 Da.
| 1 | MET | LYS | THR | ILE | LEU | ARG | PHE | VAL | ALA | GLY | |
| 2 | TYR | ASP | ILE | ALA | SER | HIS | LYS | LYS | LYS | THR | |
| 3 | GLY | GLY | TYR | PRO | TRP | GLU | ARG | GLY | LYS | ALA |
Samples:
sample_1: Molecule_1 1.0 ± 0.1 mM; DSS 0.2 ± 0.02 mM; H2O 50%; TFE, [U-99% 2H], 50%
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY, Goddard - peak picking
TALOS v+, Cornilescu, Delaglio and Bax - data analysis
CARA, Keller and Wuthrich - chemical shift assignment
TOPSPIN v2.4, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts