BMRB Entry 30744
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30744
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Title: NMR Structure of HSP1-NH2 antimicrobial peptide in presence of SDS-d25 micelles PubMed: 32828849
Deposition date: 2020-04-27 Original release date: 2020-08-31
Authors: Verly, R.; Gomes, I.
Citation: Gomes, I.; Santos, T.; Souza, A.; Nunes, L.; Cardoso, G.; Matos, C.; Costa, L.; Liao, L.; Resende, J.; Verly, R.. "Membrane interactions of the anuran antimicrobial peptide HSP1-NH 2: Different aspects of the association to anionic and zwitterionic biomimetic systems" Biochim. Biophys. Acta Biomembr. ., .-. (2020).
Assembly members:
entity_1, polymer, 15 residues, 1311.594 Da.
Natural source: Common Name: polka-dot treefrog Taxonomy ID: 2499473 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Boana punctata
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GILDAIKAIAKAAGX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 40 |
| 15N chemical shifts | 14 |
| 1H chemical shifts | 80 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 15 residues - 1311.594 Da.
| 1 | GLY | ILE | LEU | ASP | ALA | ILE | LYS | ALA | ILE | ALA | ||||
| 2 | LYS | ALA | ALA | GLY | NH2 |
Samples:
sample_1: HSP-1, unlable, 1 mM
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment
PROCHECK / PROCHECK-NMR, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis
QUEEN, Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister - data analysis
NMR spectrometers:
- Bruker Bruker Avance III 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts