BMRB Entry 17583
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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/BMR17583
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Title: Thurincin H PubMed: 21786372
Deposition date: 2011-04-10 Original release date: 2011-08-17
Authors: Sit, Clarissa; van Belkum, Marco; McKay, Ryan; Worobo, Randy; Vederas, John
Citation: Sit, Clarissa; van Belkum, Marco; McKay, Ryan; Worobo, Randy; Vederas, John. "The 3D solution structure of thurincin H, a bacteriocin with four sulfur to -carbon crosslinks." Angew. Chem. Int. Ed. Engl. 50, 8718-8721 (2011).
Assembly members:
thurincin H, polymer, 31 residues, 3148.575 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):
thurincin H: DWTCWSCLVCAACSVELLXL
VXAAXGAXTAS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 111 |
| 15N chemical shifts | 29 |
| 1H chemical shifts | 176 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | thurincin H | 1 |
Entities:
Entity 1, thurincin H 31 residues - 3148.575 Da.
| 1 | ASP | TRP | THR | CYS | TRP | SER | CYS | LEU | VAL | CYS | ||||
| 2 | ALA | ALA | CYS | SER | VAL | GLU | LEU | LEU | DSG | LEU | ||||
| 3 | VAL | DTH | ALA | ALA | DTH | GLY | ALA | DSN | THR | ALA | ||||
| 4 | SER |
Samples:
sample_1: entity, [U-100% 13C; U-100% 15N], 1 mM; DSS 100 uM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC aliphatic | 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 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| rtm-HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 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:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
NMR spectrometers:
- Varian INOVA 800 MHz
- Varian INOVA 500 MHz
Related Database Links:
| PDB |
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