BMRB Entry 31120
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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/BMR31120
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NMR-STAR v3 text file.
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Title: Solution structure of toxin, U-RDTX-Pp19, from assassin bug Pristhesancus plagipennis
Deposition date: 2023-10-18 Original release date: 2024-05-23
Authors: Chin, Y.; Walker, A.; King, G.
Citation: Walker, A.; Chin, Y.; Guo, S.; Jin, J.; Wilbrink, E.; Goudarzi, M.; Wirth, H.; Gordon, E.; Weirauch, C.; King, G.. "An insect trans-defensin with insecticidal activity from assassin bug venom" .
Assembly members:
entity_1, polymer, 41 residues, 4440.098 Da.
Natural source: Common Name: Pristhesancus plagipennis Taxonomy ID: 1955184 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pristhesancus plagipennis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GVCWDTGCQLNAWAVRGCAQ
YGMRDVNMKSCSGGIIYTCC
D
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 116 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 252 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 41 residues - 4440.098 Da.
| 1 | GLY | VAL | CYS | TRP | ASP | THR | GLY | CYS | GLN | LEU | ||||
| 2 | ASN | ALA | TRP | ALA | VAL | ARG | GLY | CYS | ALA | GLN | ||||
| 3 | TYR | GLY | MET | ARG | ASP | VAL | ASN | MET | LYS | SER | ||||
| 4 | CYS | SER | GLY | GLY | ILE | ILE | TYR | THR | CYS | CYS | ||||
| 5 | ASP |
Samples:
sample_1: Unlabelled pp19 1 mM; sodium phosphate 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | 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:
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
TopSpin, Bruker Biospin - collection, processing
TALOS-N, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Bruker AVANCE III HD 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts