BMRB Entry 17495
Click here to enlarge.
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/BMR17495
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Trn- peptide of the two-component bacteriocin Thuricin CD PubMed: 21526839
Deposition date: 2011-02-27 Original release date: 2011-05-05
Authors: Sit, Clarissa; McKay, Ryan; Hill, Colin; Ross, R.; Vederas, John
Citation: Sit, Clarissa; McKay, Ryan; Hill, Colin; Ross, R. Paul; Vederas, John. "The 3D Structure of Thuricin CD, a Two-Component Bacteriocin with Cysteine Sulfur to -Carbon Cross-links." J. Am. Chem. Soc. 133, 7680-7683 (2011).
Assembly members:
Thuricin, polymer, 30 residues, 2868.282 Da.
Natural source: Common Name: B.thuringiensis Taxonomy ID: 1428 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus thuringiensis
Experimental source: Production method: purified from the natural source Host organism: Bacillus thuringiensis
Entity Sequences (FASTA):
Thuricin: GWVACVGACGTVCLASGGVG
TEFAAASXFL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 70 |
| 15N chemical shifts | 29 |
| 1H chemical shifts | 156 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Thuricin | 1 |
Entities:
Entity 1, Thuricin 30 residues - 2868.282 Da.
| 1 | GLY | TRP | VAL | ALA | CYS | VAL | GLY | ALA | CYS | GLY | |
| 2 | THR | VAL | CYS | LEU | ALA | SER | GLY | GLY | VAL | GLY | |
| 3 | THR | GLU | PHE | ALA | ALA | ALA | SER | DTY | PHE | LEU |
Samples:
Trnb: Trnb, [U-99% 13C; U-99% 15N], 0.5 mM; DSS 100 uM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | Trnb | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | Trnb | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | Trnb | isotropic | sample_conditions_1 |
| 3D HNHA | Trnb | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | Trnb | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | Trnb | isotropic | sample_conditions_1 |
| 3D HNCO | Trnb | isotropic | sample_conditions_1 |
| 3D HNCACB | Trnb | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | Trnb | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | Trnb | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | Trnb | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts