BMRB Entry 30235
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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/BMR30235
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title: NMR Solution Structure of the Two-component Bacteriocin CbnXY PubMed: 28391617
Deposition date: 2017-01-18 Original release date: 2017-11-20
Authors: Acedo, J.; Towle, K.; Lohans, C.; McKay, R.; Miskolzie, M.; Doerksen, T.; Vederas, J.; Martin-Visscher, L.
Citation: Acedo, J.; Towle, K.; Lohans, C.; McKay, R.; Miskolzie, M.; Doerksen, T.; Vederas, J.; Martin-Visscher, L.. "Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria" FEBS Lett. 591, 1349-1359 (2017).
Assembly members:
entity_1, polymer, 29 residues, 3098.687 Da.
Natural source: Common Name: Carnobacterium maltaromaticum Taxonomy ID: 2751 Superkingdom: Bacteria Kingdom: not available Genus/species: Carnobacterium maltaromaticum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: SAILAITLGIFATGYGMGVQ
KAINDRRKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 90 |
| 15N chemical shifts | 30 |
| 1H chemical shifts | 199 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 29 residues - 3098.687 Da.
| 1 | SER | ALA | ILE | LEU | ALA | ILE | THR | LEU | GLY | ILE | ||||
| 2 | PHE | ALA | THR | GLY | TYR | GLY | MET | GLY | VAL | GLN | ||||
| 3 | LYS | ALA | ILE | ASN | ASP | ARG | ARG | LYS | LYS |
Samples:
sample_1: CbnY, [U-99% 13C; U-99% 15N], 1 mM; DSS, none, 0.01%; trifluoroethanol, D, 50%; water, none, 50%
sample_conditions_1: ionic strength: 0 mM; pH: 6; pressure: 760 mmHg; temperature: 300 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-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Varian VNMRS 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts