BMRB Entry 36074
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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/BMR36074
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Title: TK9 NMR structure in SDS micelle PubMed: 29038024
Deposition date: 2017-04-05 Original release date: 2018-04-16
Authors: Ghosh, A.; Bhunia, A.
Citation: Ghosh, Anirban; Bhattacharyya, Dipita; Bhunia, Anirban. "Structural insights of a self-assembling 9-residue peptide from the C-terminal tail of the SARS corona virus E-protein in DPC and SDS micelles: A combined high and low resolution spectroscopic study" Biochim. Biophys. Acta Biomembr. 1860, 335-346 (2018).
Assembly members:
THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS, polymer, 9 residues, 1116.310 Da.
Natural source: Common Name: SARS coronavirus Taxonomy ID: 227859 Superkingdom: Viruses Kingdom: not available Genus/species: Betacoronavirus SARS-related coronavirus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS: TVYVYSRVK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 50 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 9 residues - 1116.310 Da.
| 1 | THR | VAL | TYR | VAL | TYR | SER | ARG | VAL | LYS |
Samples:
sample_1: TK9 1.0 mM; SDS, [U-100% 2H], 200 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 200 mM; pH: 4.5; pressure: 1 atm; temperature: 310 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 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
SPARKY, Goddard - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker DRX 500 MHz