BMRB Entry 16028
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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/BMR16028
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Title: NMR structure of delta-toxin from Staphylococcus aureus in CD3OH
Deposition date: 2008-11-11 Original release date: 2012-07-19
Authors: Loureiro-Ferreira, Nuno; Rodrigues, J. Rui; Brito, Rui
Citation: Loureiro-Ferreira, Nuno; Rodrigues, J. Rui; Birkbeck, Thomas; Brito, Rui. "Protein conformational plasticity and aggregation : transthyretin and delta-toxin as two case studies" . ., .-..
Assembly members:
delta-toxin, polymer, 26 residues, 3010.574 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
delta-toxin: XAQDIISTIGDLVKWIIDTV
NKFTKK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 206 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | delta-toxin | 1 |
Entities:
Entity 1, delta-toxin 26 residues - 3010.574 Da.
| 1 | FME | ALA | GLN | ASP | ILE | ILE | SER | THR | ILE | GLY | ||||
| 2 | ASP | LEU | VAL | LYS | TRP | ILE | ILE | ASP | THR | VAL | ||||
| 3 | ASN | LYS | PHE | THR | LYS | LYS |
Samples:
cd3oh: delta-toxin 3 mM; CD3OH 99%
cd3oh_298: pH*: 3; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | cd3oh | isotropic | cd3oh_298 |
| 2D 1H-1H TOCSY | cd3oh | isotropic | cd3oh_298 |
| 2D 1H-1H NOESY | cd3oh | isotropic | cd3oh_298 |
Software:
FELIX v95.0, Accelrys Software Inc. - chemical shift assignment, data analysis, peak picking, processing
VNMR v6.1B, Varian - collection, processing
X-PLOR NIH v2.16.0, Schwieters, Kuszewski, Tjandra and Clore - structure solution
ProcheckNMR v3.5.4, Laskowski and MacArthur - data analysis
InsightII v95.0, Accelrys Software Inc. - FME residue modelling
NMR spectrometers:
- Varian INOVA 500 MHz