BMRB Entry 20025
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20025
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Title: NMR solution structure of mu-conotoxin SIIIA PubMed: 18522941
Deposition date: 2008-06-20 Original release date: 2008-07-30
Authors: Lewis, Richard; Schroeder, Christina
Citation: Schroeder, Christina; Ekberg, Jenny; Nielsen, Katherine; Adams, Denise; Loughnan, Marion; Thomas, Linda; Adams, David; Alewood, Paul; Lewis, Richard. "Neuronally Selective {micro}-Conotoxins from Conus striatus Utilize an {alpha}-Helical Motif to Target Mammalian Sodium Channels" J. Biol. Chem. 283, 21621-21628 (2008).
Assembly members:
SIIIA, polymer, 20 residues, 2348.551 Da.
Natural source: Common Name: Striated cone Taxonomy ID: 6493 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus striatus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
SIIIA: XNCCNGGCSSKWCRDHARCC
- assigned_chemical_shifts
- conformer_family_coord_set
| Data type | Count |
| conformer coordinate sets | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SIIIA | 1 |
Entities:
Entity 1, SIIIA 20 residues - 2348.551 Da.
| 1 | GLP | ASN | CYS | CYS | ASN | GLY | GLY | CYS | SER | SER | |
| 2 | LYS | TRP | CYS | ARG | ASP | HIS | ALA | ARG | CYS | CYS |
Samples:
sample_1: SIIIA 2 mM
sample_2: SIIIA 2 mM
sample_conditions_1: pH: 3; temperature: 286.5 K
sample_conditions_2: pH: 3; temperature: 276.5 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_2 |
Software:
UXNMR, Bruker Biospin - collection
SPARKY, Goddard - chemical shift assignment, peak picking
DYANA, Guntert, Braun and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement