BMRB Entry 18590
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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/BMR18590
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Title: S. aureus pepA1 NMR structure PubMed: 23129767
Deposition date: 2012-07-11 Original release date: 2014-04-22
Authors: Sayed, N.; Nonin-Lecomte, Sylvie; Rety, S.; Felden, B.
Citation: Sayed, Nour; Nonin-Lecomte, Sylvie; Rety, Stephane; Felden, Brice. "Functional and structural insights of a Staphylococcus aureus apoptotic-like membrane peptide from a toxin-antitoxin module." J. Biol. Chem. 287, 43454-43463 (2012).
Assembly members:
PEPA1, polymer, 30 residues, 3459.2068 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PEPA1: MLIFVHIIAPVISGCAIAFF
SYWLSRRNTK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 94 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PEPA1 | 1 |
Entities:
Entity 1, PEPA1 30 residues - 3459.2068 Da.
| 1 | MET | LEU | ILE | PHE | VAL | HIS | ILE | ILE | ALA | PRO | |
| 2 | VAL | ILE | SER | GLY | CYS | ALA | ILE | ALA | PHE | PHE | |
| 3 | SER | TYR | TRP | LEU | SER | ARG | ARG | ASN | THR | LYS |
Samples:
sample_1: PEPA1 5 mM
sample_conditions_1: ionic strength: 0.0 mM; pH: 3.800; pressure: 1.000 atm; temperature: 288.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | solution | sample_conditions_1 |
| TOCSY | sample_1 | solution | sample_conditions_1 |
| COSY | sample_1 | solution | sample_conditions_1 |
Software:
AutoDep v4.3, Sen et al. - collection
TOPSPIN vany, Bruker Biospin - collection
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment
Analysis vany, CCPN - chemical shift assignment
CNS v2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 600 MHz