BMRB Entry 25424
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25424
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Title: The solution structure of DEFA1, a highly potent antimicrobial peptide from the horse PubMed: 25769951
Deposition date: 2015-01-12 Original release date: 2015-04-20
Authors: Jung, Sascha; Michalek, Matthias; Shomali, Mohammad; Soennichsen, Frank
Citation: Jung, Sascha; Michalek, Matthias; Soennichsen, Frank; Shomali, Mohammad; Cauchard, Severine; Groetzinger, Joachim. "Solution structure and functional studies of the highly potent equine antimicrobial peptide DEFA1" Biochem. Biophys. Res. Commun. 459, 668-672 (2015).
Assembly members:
entity, polymer, 34 residues, 4086.812 Da.
Natural source: Common Name: Domestic horse Taxonomy ID: 9796 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Equus ferus
Experimental source: Production method: chemical synthesis Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: SCTCRRAWICRWGERHSGKC
IDQKGSTYRLCCRR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 148 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 34 residues - 4086.812 Da.
| 1 | SER | CYS | THR | CYS | ARG | ARG | ALA | TRP | ILE | CYS | ||||
| 2 | ARG | TRP | GLY | GLU | ARG | HIS | SER | GLY | LYS | CYS | ||||
| 3 | ILE | ASP | GLN | LYS | GLY | SER | THR | TYR | ARG | LEU | ||||
| 4 | CYS | CYS | ARG | ARG |
Samples:
sample_1: entity 0.5 mM; H2O 93%; D2O 7%
sample_conditions_1: ionic strength: 0.02 M; pH: 5.7; 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 |
Software:
CYANA, G??ntert P. - refinement
NMR spectrometers:
- Bruker AMX 600 MHz