BMRB Entry 30991
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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/BMR30991
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Title: Structural of the globular isoform of the novel conotoxin PnID derived from Conus pennaceus PubMed: 36827103
Deposition date: 2022-02-05 Original release date: 2023-01-18
Authors: Loening, N.; Espiritu, M.
Citation: Espiritu, Michael; Taylor, Jonathan; Sugai, Christopher; Thapa, Parashar; Loening, Nikolaus; Gusman, Emma; Baoanan, Zenaida; Baumann, Michael; Bingham, Jon-Paul. "Characterization of the Native Disulfide Isomers of the Novel Chi-Conotoxin PnID: Implications for Further Increasing Conotoxin Diversity" Mar. Drugs 21, 61-61 (2023).
Assembly members:
entity_1, polymer, 13 residues, 1321.636 Da.
Natural source: Common Name: Conus pennaceus Taxonomy ID: 37335 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus pennaceus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: STCCGYRMCVPCX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 36 |
| 15N chemical shifts | 11 |
| 1H chemical shifts | 74 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 13 residues - 1321.636 Da.
| 1 | SER | THR | CYS | CYS | GLY | TYR | ARG | MET | CYS | VAL | ||||
| 2 | PRO | CYS | NH2 |
Samples:
sample_1: PnID A 2 ± 0.2 mM; DSS 0.2 ± 0.02 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 4.0; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis v2.5.2, CCPN - chemical shift assignment
TopSpin v4.1.3, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts