BMRB Entry 30181
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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/BMR30181
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Title: NMR solution structure of engineered Protoxin-II analog
Deposition date: 2016-09-16 Original release date: 2017-01-12
Authors: Gibbs, A.; Wickenden, A.
Citation: Gibbs, A.; Wickenden, A.. "Insensitivity to pain induced by a potent selective voltage-independent Nav1.7 inhibitor" . ., .-..
Assembly members:
entity_1, polymer, 32 residues, 3862.721 Da.
Natural source: Common Name: Peruvian green velvet tarantula Taxonomy ID: 213387 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Thrixopelma pruriens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GPYCQKWMQTCDSERKCCEG
MVCRLWCKKKLL
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 150 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 32 residues - 3862.721 Da.
| 1 | GLY | PRO | TYR | CYS | GLN | LYS | TRP | MET | GLN | THR | ||||
| 2 | CYS | ASP | SER | GLU | ARG | LYS | CYS | CYS | GLU | GLY | ||||
| 3 | MET | VAL | CYS | ARG | LEU | TRP | CYS | LYS | LYS | LYS | ||||
| 4 | LEU | LEU |
Samples:
sample_1: entity_1 1.51 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 6.7; pressure: 1 atm; temperature: 305.56 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 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
MOE v2015.10, Chemical Computing Group - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE 950 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts