BMRB Entry 34006
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34006
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Title: NMR Structure of Enterocin K1 in 50%/50% TFE/Water PubMed: 28515717
Deposition date: 2016-06-06 Original release date: 2017-05-11
Authors: Ovchinnikov, K.; Kristiansen, P.; Diep, D.
Citation: Ovchinnikov, Kirill; Kristiansen, Per Eugen; Straume, Daniel; Jensen, Marianne; Aleksandrzak-Piekarczyk, Tamara; Nes, Ingolf; Diep, Dzung. "The Leaderless Bacteriocin Enterocin K1 Is Highly Potent against Enterococcus faecium: A Study on Structure, Target Spectrum and Receptor" Front Microbiol 8, 774-774 (2017).
Assembly members:
Enterococcin K1, polymer, 37 residues, 4572.396 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: .
Entity Sequences (FASTA):
Enterococcin K1: MKFKFNPTGTIVKKLTQYEI
AWFKNKHGYYPWEIPRC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 149 |
| 15N chemical shifts | 35 |
| 1H chemical shifts | 290 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 37 residues - 4572.396 Da.
| 1 | MET | LYS | PHE | LYS | PHE | ASN | PRO | THR | GLY | THR | ||||
| 2 | ILE | VAL | LYS | LYS | LEU | THR | GLN | TYR | GLU | ILE | ||||
| 3 | ALA | TRP | PHE | LYS | ASN | LYS | HIS | GLY | TYR | TYR | ||||
| 4 | PRO | TRP | GLU | ILE | PRO | ARG | CYS |
Samples:
sample_1: DSS, na, 0.2 mM; Enterococcin K1 1.0 mM; H2O 50%; TFE, U-D, 50%
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H proton | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | 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 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
SPARKY, Goddard - peak picking
TALOS, Cornilescu, Delaglio and Bax - data analysis
xwinnmr, Bruker Biospin - processing
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