BMRB Entry 36025
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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/BMR36025
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Title: Solution structure of Tilapia Piscidin 4 (TP4) from Oreochromis niloticus
Deposition date: 2016-10-17 Original release date: 2017-10-23
Authors: Wei, S.; Chen, C.
Citation: Wei, S.; Liao, Y.; Chen, C.. "Solution structure of Tilapia piscidin 4, an antimicrobial peptide effective against multidrug resistant Helicobacter pylori" .
Assembly members:
Piscidin-4, polymer, 25 residues, 2991.639 Da.
Natural source: Common Name: Nile tilapia Taxonomy ID: 8128 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oreochromis not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Piscidin-4: FIHHIIGGLFSAGKAIHRLI
RRRRR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 189 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 25 residues - 2991.639 Da.
| 1 | PHE | ILE | HIS | HIS | ILE | ILE | GLY | GLY | LEU | PHE | ||||
| 2 | SER | ALA | GLY | LYS | ALA | ILE | HIS | ARG | LEU | ILE | ||||
| 3 | ARG | ARG | ARG | ARG | ARG |
Samples:
sample_1: TP4 1.5 mM; dodecylphosphocholine, [U-98% 2H], 100 mM; sodium phosphate 20 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: TP4 1.5 mM; dodecylphosphocholine, [U-98% 2H], 100 mM; sodium phosphate 20 mM; D2O, [U-2H], 100%
sample_conditions_1: ionic strength: 105 mM; pH: 3.5; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
Bruker TopSpin v3.1, Bruker - chemical shift assignment
SPARKY, Goddard - data analysis
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Bruker Avance 600 MHz