BMRB Entry 19700
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19700
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Title: Spatial structure of P33A mutant of non-conventional toxin WTX from Naja kaouthia
Deposition date: 2013-12-23 Original release date: 2014-12-22
Authors: Paramonov, Alexander; Shenkarev, Zakhar; Lyukmanova, Ekaterina
Citation: Paramonov, Alexander; Shenkarev, Zakhar; Lyukmanova, Ekaterina. "Interaction of Weak Toxin from Naja kaouthia with Muscarinic Acetylcholine Receptors: Mutagenesis, NMR and Modeling Study" To be Published ., .-..
Assembly members:
WTX[P33A], polymer, 66 residues, 7742.275 Da.
Natural source: Common Name: monocled cobra Taxonomy ID: 8649 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Naja kaouthia
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
WTX[P33A]: MLTCLNCPEMFCGKFQICRN
GEKICFKKLHQRRALSWRYI
RGCADTCPVGKPYEMIECCS
TDKCNR
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 74 |
| 1H chemical shifts | 460 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | P33A mutant of non-conventional toxin WTX | 1 |
Entities:
Entity 1, P33A mutant of non-conventional toxin WTX 66 residues - 7742.275 Da.
Met residue at the N-terminus is non-native and were added due to bacterial expression.
| 1 | MET | LEU | THR | CYS | LEU | ASN | CYS | PRO | GLU | MET | ||||
| 2 | PHE | CYS | GLY | LYS | PHE | GLN | ILE | CYS | ARG | ASN | ||||
| 3 | GLY | GLU | LYS | ILE | CYS | PHE | LYS | LYS | LEU | HIS | ||||
| 4 | GLN | ARG | ARG | ALA | LEU | SER | TRP | ARG | TYR | ILE | ||||
| 5 | ARG | GLY | CYS | ALA | ASP | THR | CYS | PRO | VAL | GLY | ||||
| 6 | LYS | PRO | TYR | GLU | MET | ILE | GLU | CYS | CYS | SER | ||||
| 7 | THR | ASP | LYS | CYS | ASN | ARG |
Samples:
sample_1: WTX[P33A], [U-99% 15N], 0.5 mM; H2O 95%; D2O, [U-100% 2H], 5%
sample_2: WTX[P33A], [U-99% 15N], 0.5 mM; D2O, [U-100% 2H], 100%
sample_conditions_1: ionic strength: 0.01 M; pH: 3.0; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts