BMRB Entry 34279
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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/BMR34279
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Title: PLANTARICIN S-B IN 100 MM DPC MICELLES. THIS IS THE BETA PART OF THE BACTERIOCIN PLANTARICIN S PubMed: 30787405
Deposition date: 2018-06-01 Original release date: 2019-03-04
Authors: Ekblad, B.; Kristiansen, P.
Citation: Ekblad, B.; Kristiansen, P.. "NMR structures and mutational analysis of the two peptides constituting the bacteriocin plantaricin S." Sci. Rep. 9, 2333-2333 (2019).
Assembly members:
Plantaricin S beta protein, polymer, 26 residues, 2877.255 Da.
Natural source: Common Name: Lactobacillus plantarum Taxonomy ID: 1590 Superkingdom: Bacteria Kingdom: Terrabacteria Genus/species: Lactobacillus plantarum
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Plantaricin S beta protein: KKKKQSWYAAAGDAIVSFGE
GFLNAW
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 82 |
| 15N chemical shifts | 27 |
| 1H chemical shifts | 185 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 26 residues - 2877.255 Da.
| 1 | LYS | LYS | LYS | LYS | GLN | SER | TRP | TYR | ALA | ALA | ||||
| 2 | ALA | GLY | ASP | ALA | ILE | VAL | SER | PHE | GLY | GLU | ||||
| 3 | GLY | PHE | LEU | ASN | ALA | TRP |
Samples:
sample_1: Plantaricin S-b 1 ± 0.1 mM; H2O 95 ± 0.1 %; D2O, [U-2H], 5 ± 0.1 %; DPC, [U-2H], 100 ± 5 mM; DSS 0.2 ± 0.01 mM
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D proton | 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-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
TALOS, Cornilescu, Delaglio and Bax - data analysis
CARA, Keller and Wuthrich - chemical shift assignment
SPARKY, Goddard - peak picking
TOPSPIN v2.4, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts