BMRB Entry 30339
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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/BMR30339
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Title: Solution structure of Magi3 a specific insect toxin from the spider Macrothele gigas PubMed: 29247580
Deposition date: 2017-09-06 Original release date: 2018-01-05
Authors: del Rio Portilla, F.; Titaux Delgado, G.; Escobedo Gonzalez, F.
Citation: Titaux-Delgado, G.; Carrillo, E.; Mendoza, A.; Martinez-Mayorga, M.; Escobedo-Gonzalez, F.; Cano-Sanchez, P.; Lopez-Vera, E.; Corzo, G.; del Rio Portilla, F.. "Successful refolding and NMR structure of rMagi3: An insecticidal spider toxin rich in disulfide bonds." Protein Sci. 27, 692-701 (2018).
Assembly members:
Mu-hexatoxin-Mg2a, polymer, 46 residues, 5241.110 Da.
Natural source: Common Name: Spider Taxonomy ID: 223896 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Macrothele gigas
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Mu-hexatoxin-Mg2a: GGCIKWNHSCQTTTLKCCGK
CVVCYCHTPWGTNCRCDRTR
LFCTED
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 254 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 46 residues - 5241.110 Da.
| 1 | GLY | GLY | CYS | ILE | LYS | TRP | ASN | HIS | SER | CYS | ||||
| 2 | GLN | THR | THR | THR | LEU | LYS | CYS | CYS | GLY | LYS | ||||
| 3 | CYS | VAL | VAL | CYS | TYR | CYS | HIS | THR | PRO | TRP | ||||
| 4 | GLY | THR | ASN | CYS | ARG | CYS | ASP | ARG | THR | ARG | ||||
| 5 | LEU | PHE | CYS | THR | GLU | ASP |
Samples:
sample_1: Magi3 1 ± 0.1 mM
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 297 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER v9, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement
CARA v1.5, Keller and Wuthrich - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - peak picking, structure calculation
NMRPipe v2014, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 500 MHz
- Bruker AvanceIII 700 MHz