BMRB Entry 34270
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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/BMR34270
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Title: AapA1 V26A toxin from helicobacter pylori 26695 PubMed: 31476357
Deposition date: 2018-05-11 Original release date: 2018-05-18
Authors: Korkut, D.; Salgado, G.
Citation: Korkut, D.; Alves, I.; Vogel, A.; Chabas, S.; Sharma, C.; Martinez, D.; Loquet, A.; Salgado, G.; Darfeuille, F.. "Structural insights into the AapA1 toxin of Helicobacter pylori." Biochim. Biophys. Acta Gen. Subj. ., 129423-129423 (2019).
Assembly members:
entity_1, polymer, 30 residues, 3443.265 Da.
Natural source: Common Name: Helicobacter pylori SS1 Taxonomy ID: 102617 Superkingdom: Bacteria Kingdom: not available Genus/species: Helicobacter pylori
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: MATKHGKNSWKTLYLKISFL
GCKVVALLKR
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 30 |
| 1H chemical shifts | 209 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 30 residues - 3443.265 Da.
| 1 | MET | ALA | THR | LYS | HIS | GLY | LYS | ASN | SER | TRP | |
| 2 | LYS | THR | LEU | TYR | LEU | LYS | ILE | SER | PHE | LEU | |
| 3 | GLY | CYS | LYS | VAL | VAL | ALA | LEU | LEU | LYS | ARG |
Samples:
sample_1: AapA1 V26A 1 mM; acetic acid, [U-2H], 10 mM; DTT, [U-2H], 10 mM; TFE, [U-2H], 40%
sample_conditions_1: ionic strength: 10 mM; pH: 4.7; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation
CcpNMR, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AvanceIII 800 MHz
- Bruker AvanceIII 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts