BMRB Entry 30508
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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/BMR30508
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Title: NMR Solution Structure of vil14a PubMed: 30040981
Deposition date: 2018-08-16 Original release date: 2018-08-31
Authors: Dovell, S.; Mari, F.; Moller, C.; Melaun, C.
Citation: Moller, C.; Dovell, S.; Melaun, C.; Mari, F.. "Definition of the R-superfamily of conotoxins: Structural convergence of helix-loop-helix peptidic scaffolds." Peptides 107, 75-82 (2018).
Assembly members:
entity_1, polymer, 27 residues, 2879.409 Da.
Natural source: Common Name: Villepin's cone Taxonomy ID: 257347 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus villepinii
Experimental source: Production method: .
Entity Sequences (FASTA):
entity_1: GGLGRCIYNCMNSGGGLSFI
QCKTMCY
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 142 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 27 residues - 2879.409 Da.
| 1 | GLY | GLY | LEU | GLY | ARG | CYS | ILE | TYR | ASN | CYS | ||||
| 2 | MET | ASN | SER | GLY | GLY | GLY | LEU | SER | PHE | ILE | ||||
| 3 | GLN | CYS | LYS | THR | MET | CYS | TYR |
Samples:
sample_1: peptide 1 mM; TSP 0.11 mM
sample_conditions_1: pH: 3.6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH v2.19, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
VNMR, Varian - processing
NMR spectrometers:
- Varian INOVA 500 MHz