BMRB Entry 34417
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34417
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Title: M-TRTX-Preg1a (Poecilotheria regalis) PubMed: 32602722
Deposition date: 2019-07-16 Original release date: 2020-07-20
Authors: Meudal, H.; Landon, C.; Delmas, A.
Citation: Reynaud, S.; Ciolek, J.; Degueldre, M.; Saez, N.; Sequeira, A.; Duhoo, Y.; Bras, J.; Meudal, H.; Cabo Diez, M.; Fernandez Pedrosa, V.; Verdenaud, M.; Boeri, J.; Pereira Ramos, O.; Ducancel, F.; Vanden Driessche, M.; Fourmy, R.; Violette, A.; Upert, G.; Mourier, G.; Beck-Sickinger, A.; Morl, K.; Landon, C.; Fontes, C.; Minambres Herraiz, R.; Rodriguez de la Vega, R.; Peigneur, S.; Tytgat, J.; Quinton, L.; De Pauw, E.; Vincentelli, R.; Servent, D.; Gilles, N.. "A Venomics approach coupled to high-throughput toxin production strategies identifies the first venom-derived melanocortin receptor agonists." J. Med. Chem. ., .-. (2020).
Assembly members:
entity_1, polymer, 28 residues, 2927.543 Da.
Natural source: Common Name: Poecilotheria formosa Taxonomy ID: 1971608 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Poecilotheria formosa
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RCLHAGAACSGPIQKIPCCG
TCSRRKCT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 76 |
| 15N chemical shifts | 25 |
| 1H chemical shifts | 174 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 28 residues - 2927.543 Da.
| 1 | ARG | CYS | LEU | HIS | ALA | GLY | ALA | ALA | CYS | SER | ||||
| 2 | GLY | PRO | ILE | GLN | LYS | ILE | PRO | CYS | CYS | GLY | ||||
| 3 | THR | CYS | SER | ARG | ARG | LYS | CYS | THR |
Samples:
sample_1: [1-28]M-TRTX-Preg1a 0.5 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 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:
CNS, Brunger et al. - refinement
ARIA, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis, Vranken et al. - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III HD 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts