BMRB Entry 18897
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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/BMR18897
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Title: NMR structure of the glycosylated conotoxin CcTx from Conus consors PubMed: 23281027
Deposition date: 2012-12-13 Original release date: 2013-01-29
Authors: Hocking, Henry; Gerwig, G.; Favreau, P.; Stocklin, R.; Kamerling, J.; Boelens, R.
Citation: Hocking, Henry; Gerwig, Gerrit; Dutertre, Sebastien; Violette, Aude; Favreau, Philipe; Stocklin, Reto; Kamerling, Johannis; Boelens, Rolf. "Structure of the O-Glycosylated Conopeptide CcTx from Conus consors Venom." Chemistry 19, 870-879 (2013).
Assembly members:
polysaccharide, polymer, 5 residues, Formula weight is not available
CONOTOXIN_CCTX, polymer, 30 residues, 3223.6702 Da.
Natural source: Common Name: Conus consors Taxonomy ID: 101297 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus consors
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
polysaccharide: XXXXX
CONOTOXIN_CCTX: AXWLVPSQITTCCGYNXGTM
CXSCMCTNTC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 126 |
| 1H chemical shifts | 227 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | polysaccharide | 1 |
| 2 | CONOTOXIN CCTX | 2 |
Entities:
Entity 1, polysaccharide 5 residues - Formula weight is not available
| 1 | A2G | NDG | GXL | GAL | GXL |
Entity 2, CONOTOXIN CCTX 30 residues - 3223.6702 Da.
| 1 | ALA | HYP | TRP | LEU | VAL | PRO | SER | GLN | ILE | THR | |
| 2 | THR | CYS | CYS | GLY | TYR | ASN | HYP | GLY | THR | MET | |
| 3 | CYS | HYP | SER | CYS | MET | CYS | THR | ASN | THR | CYS |
Samples:
sample_1: N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, [U-13C; U-15N], 1.1 mM; CONOTOXIN_CCTX, [U-13C; U-15N], 1.1 mM
sample_conditions_1: ionic strength: 0.0 mM; pH: 3.000; pressure: 1 atm; temperature: 292.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | solution | sample_conditions_1 |
| TOCSY | sample_1 | solution | sample_conditions_1 |
| COSY | sample_1 | solution | sample_conditions_1 |
| H2BC | sample_1 | solution | sample_conditions_1 |
Software:
AutoDep v4.3, PDBe - collection
CCPN_Analysis vany, CCPN - chemical shift assignment
CNS vany, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- - data analysis
NMR spectrometers:
- Bruker Avance 750 MHz