BMRB Entry 34238
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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/BMR34238
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Title: NMR structure of Casocidin-I antimicrobial peptide in 60% TFE PubMed: 30243923
Deposition date: 2018-02-19 Original release date: 2018-09-24
Authors: Mercurio, F.; Leone, M.
Citation: Mercurio, Flavia Anna; Scaloni, Andrea; Caira, Simonetta; Leone, Marilisa. "The antimicrobial peptides casocidins I and II: Solution structural studies in water and different membrane-mimetic environments" Peptides 114, 50-58 (2019).
Assembly members:
entity_1, polymer, 39 residues, 4880.708 Da.
Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: KTKLTEEEKNRLNFLKKISQ
RYQKFALPQYLKTVYQHQK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 322 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 39 residues - 4880.708 Da.
| 1 | LYS | THR | LYS | LEU | THR | GLU | GLU | GLU | LYS | ASN | ||||
| 2 | ARG | LEU | ASN | PHE | LEU | LYS | LYS | ILE | SER | GLN | ||||
| 3 | ARG | TYR | GLN | LYS | PHE | ALA | LEU | PRO | GLN | TYR | ||||
| 4 | LEU | LYS | THR | VAL | TYR | GLN | HIS | GLN | LYS |
Samples:
sample_1: Casocidin-I 950 uM
sample_conditions_1: pH: 2.9; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | 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 |
Software:
VNMR, Varian - collection
XEASY, Bartels et al. - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Varian INOVA 600 MHz