BMRB Entry 31063
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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/BMR31063
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Solution structure of Pmu1a PubMed: 36912793
Deposition date: 2022-12-07 Original release date: 2023-03-23
Authors: Daly, N.; Wilson, D.
Citation: Giribaldi, J.; Chemin, J.; Tuifua, M.; Deuis, J.; Mary, R.; Vetter, I.; Wilson, D.; Daly, N.; Schroeder, C.; Bourinet, E.; Dutertre, S.. "Pmu1a, a novel spider toxin with dual inhibitory activity at pain targets hNaV 1.7 and hCaV 3 voltage-gated channels" FEBS J. 290, 3688-3702 (2023).
Assembly members:
entity_1, polymer, 36 residues, 4367.005 Da.
Natural source: Common Name: Pterinochilus murinus Taxonomy ID: 1184495 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pterinochilus murinus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: ECRWFWGGCNNDADCCKHLE
CKRKWPHICLWDGTFT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 45 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 237 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 36 residues - 4367.005 Da.
| 1 | GLU | CYS | ARG | TRP | PHE | TRP | GLY | GLY | CYS | ASN | ||||
| 2 | ASN | ASP | ALA | ASP | CYS | CYS | LYS | HIS | LEU | GLU | ||||
| 3 | CYS | LYS | ARG | LYS | TRP | PRO | HIS | ILE | CYS | LEU | ||||
| 4 | TRP | ASP | GLY | THR | PHE | THR |
Samples:
sample_1: Pmu1a 0.5 mM
sample_conditions_1: ionic strength: 1 Not defined; pH: 4.5; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
CcpNmr Analysis, CCPN - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts