BMRB Entry 30752
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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/BMR30752
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NMR-STAR v3 text file.
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Title: NMR soltution structure of homotarsinin homodimer - Htr PubMed: 28102305
Deposition date: 2020-05-05 Original release date: 2021-05-03
Authors: Verly, R.
Citation: Verly, R.; Resende, J.; Junior, E.; de Magalhaes, M.; Guimaraes, C.; Munhoz, V.; Bemquerer, M.; Almeida, F.; Santoro, M.; Pilo-Veloso, D.; Bechinger, B.. "Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin." Sci. Rep. 7, 40854-40854 (2017).
Assembly members:
entity_1, polymer, 25 residues, 2759.427 Da.
Natural source: Common Name: Brownbelly leaf frog Taxonomy ID: 306084 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Phyllomedusa tarsius
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: NLVSDIIGSKKHMEKLISII
KKCRX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 64 |
| 15N chemical shifts | 25 |
| 1H chemical shifts | 162 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 25 residues - 2759.427 Da.
| 1 | ASN | LEU | VAL | SER | ASP | ILE | ILE | GLY | SER | LYS | ||||
| 2 | LYS | HIS | MET | GLU | LYS | LEU | ILE | SER | ILE | ILE | ||||
| 3 | LYS | LYS | CYS | ARG | NH2 |
Samples:
sample_1: Homotarsinin - Htr 1 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 7.0 pH*; pressure: 1 atm; temperature: 298 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 NH2 only | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | 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 AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts