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
MolProbity Validation Chart

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Title:
AapA1 V26A toxin from helicobacter pylori 26695
Deposition date:
2018-05-11
Original release date:
2018-05-18
Authors:
Korkut, D.; Salgado, G.
Citation:

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).
PubMed: 31476357

Assembly members:

Assembly members:
entity_1, polymer, 30 residues, 3443.265 Da.

Natural source:

Natural source:   Common Name: Helicobacter pylori SS1   Taxonomy ID: 102617   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Helicobacter pylori

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MATKHGKNSWKTLYLKISFL GCKVVALLKR

Data sets:
Data typeCount
15N chemical shifts30
1H chemical shifts209

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 30 residues - 3443.265 Da.

1   METALATHRLYSHISGLYLYSASNSERTRP
2   LYSTHRLEUTYRLEULYSILESERPHELEU
3   GLYCYSLYSVALVALALALEULEULYSARG

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:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks