BMRB Entry 51942
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51942
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Title: 1H and 13C NMR assignments for panusin PubMed: 37376223
Deposition date: 2023-04-26 Original release date: 2023-06-29
Authors: Jimenez, M. Angeles; Andreu, David; Bello-Madruga, Roberto
Citation: Bello-Madruga, Roberto; Valle, Javier; Jimenez, M. Angeles; Torrent, Marc; Montero-Alejo, Vivian; Andreu, David. "The C-Terminus of Panusin, a Lobster b-Defensin, Is Crucial for Optimal Antimicrobial Activity and Serum Stability" Pharmaceutics 15, 1777-1777 (2023).
Assembly members:
entity_1, polymer, 40 residues, Formula weight is not available
Natural source: Common Name: Caribbean spiny lobster Taxonomy ID: 6737 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Panulirus argus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: SYVGDCGSNGGSCVSSYCPY
GNRLNYFCPLGRTCCRRSYX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 319 |
| 1H chemical shifts | 649 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PaD | 1 |
Entities:
Entity 1, PaD 40 residues - Formula weight is not available
X is the C-terminal amide group Sequence corresponds to panusin from lobster
| 1 | SER | TYR | VAL | GLY | ASP | CYS | GLY | SER | ASN | GLY | |
| 2 | GLY | SER | CYS | VAL | SER | SER | TYR | CYS | PRO | TYR | |
| 3 | GLY | ASN | ARG | LEU | ASN | TYR | PHE | CYS | PRO | LEU | |
| 4 | GLY | ARG | THR | CYS | CYS | ARG | ARG | SER | TYR | NH2 |
Samples:
sample_1: PaD 1 mM; H2O 90%; D2O, [U-100% 2H], 10%; DSS 0.1 mM
sample_2: PaD 1 mM; D2O, [U-100% 2H], 100%; DSS 0.1 mM
sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 298.17 K
sample_conditions_2: pH: 5.5; pressure: 1 atm; temperature: 278.17 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 1D 1H | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 1D 1H | sample_1 | isotropic | sample_conditions_2 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_2 |
Software:
TOPSPIN - collection, processing
NMRFAM-SPARKY - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz