BMRB Entry 17726
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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/BMR17726
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Title: conotoxin pc16a PubMed: 22079220
Deposition date: 2011-06-22 Original release date: 2012-01-18
Authors: Dyubankova, Natalia; Lescrinier, Eveline; Van Der Haegen, Annelies; Peigneur, Steve; Tytgat, Jan
Citation: Van Der Haegen, Annelies; Peigneur, Steve; Dyubankova, Natalia; Moller, Carolina; Mari, Frank; Diego-Garcia, Elia; Naude, Ryno; Lescrinier, Eveline; Herdewijn, Piet; Tytgat, Jan. "Pc16a, the first characterized peptide from Conus pictus venom, shows a novel disulfide connectivity." Peptides 34, 106-113 (2012).
Assembly members:
conotoxin_pc16a, polymer, 11 residues, 1258.5 Da.
Natural source: Common Name: Conus pictus Taxonomy ID: 1042615 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus pictus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
conotoxin_pc16a: SCSCKRNFLCC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 33 |
| 1H chemical shifts | 65 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | conotoxin_pc16a | 1 |
Entities:
Entity 1, conotoxin_pc16a 11 residues - 1258.5 Da.
C-terminal amidation Disulfide bonds between Cys2/Cys10 and Cys4/Cys11
| 1 | SER | CYS | SER | CYS | LYS | ARG | ASN | PHE | LEU | CYS | ||||
| 2 | CYS |
Samples:
sample_1: conotoxin pc16a 5 mg; H2O 90%; D2O 10%
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz