BMRB Entry 15420
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15420
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Title: 1H and 15N Chemical Shift Assignments of Recombinant Margatoxin PubMed: 23300835
Deposition date: 2007-08-08 Original release date: 2009-10-12
Authors: Anangi, Raveendra; Chuang, Woei-Jer
Citation: Anangi, Raveendra; Koshy, Shyny; Huq, Redwan; Beeton, Christine; Chuang, Woei-Jer; King, Glenn. "Recombinant expression of margatoxin and agitoxin-2 in Pichia pastoris: an efficient method for production of KV1.3 channel blockers." PLoS ONE 7, e52965-e52965 (2012).
Assembly members:
Margatoxin, polymer, 39 residues, Formula weight is not available
Natural source: Common Name: Centruroides margaritatus Taxonomy ID: 29018 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Centruroides margaritatus
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris
Entity Sequences (FASTA):
Margatoxin: TIINVKCTSPKQCLPPCKAQ
FGQSAGAKCMNGKCKCYPH
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 40 |
| 1H chemical shifts | 249 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MgTX, chain A | 1 |
Entities:
Entity 1, MgTX, chain A 39 residues - Formula weight is not available
| 1 | THR | ILE | ILE | ASN | VAL | LYS | CYS | THR | SER | PRO | ||||
| 2 | LYS | GLN | CYS | LEU | PRO | PRO | CYS | LYS | ALA | GLN | ||||
| 3 | PHE | GLY | GLN | SER | ALA | GLY | ALA | LYS | CYS | MET | ||||
| 4 | ASN | GLY | LYS | CYS | LYS | CYS | TYR | PRO | HIS |
Samples:
sample_1-MgTX: Margatoxin, [U-98% 15N], 2.5 mM
sample_2-MgTX: Margatoxin 2.5 mM
sample_conditions_1: ionic strength: 0 M; pH: 4.6; pressure: 1 atm; temperature: 300 K
sample_conditions_2: ionic strength: 0 M; pH: 4.6; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_2-MgTX | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2-MgTX | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_2-MgTX | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1-MgTX | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1-MgTX | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1-MgTX | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1-MgTX | isotropic | sample_conditions_2 |
Software:
AURELIA v3.1, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts