BMRB Entry 27433
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27433
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Title: Double knot toxin (DkTx)
Deposition date: 2018-03-25 Original release date: 2019-03-18
Authors: Ramanujam, Venkatraman; Mobli, Mehdi
Citation: Ramanujam, Venkatraman; Ma, Linlin; King, Glenn; Mobli, Mehdi. "Production and characterization of double knot toxin (DkTx), a TrpV1 channel agonist." Not known ., .-..
Assembly members:
Double_knot_toxin, polymer, 78 residues, Formula weight is not available
Natural source: Common Name: Chinese earth tiger Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ornithoctonus huwena
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Double_knot_toxin: GDCAKEGEVCSWGKKCCDLD
NFYCPMEFIPHCKKYKPYVP
VTTSFNCAKEGEVCGWGSKC
CHGLDCPLAFIPYCEKYR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 347 |
| 15N chemical shifts | 75 |
| 1H chemical shifts | 519 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Double knot toxin | 1 |
Entities:
Entity 1, Double knot toxin 78 residues - Formula weight is not available
| 1 | GLY | ASP | CYS | ALA | LYS | GLU | GLY | GLU | VAL | CYS | ||||
| 2 | SER | TRP | GLY | LYS | LYS | CYS | CYS | ASP | LEU | ASP | ||||
| 3 | ASN | PHE | TYR | CYS | PRO | MET | GLU | PHE | ILE | PRO | ||||
| 4 | HIS | CYS | LYS | LYS | TYR | LYS | PRO | TYR | VAL | PRO | ||||
| 5 | VAL | THR | THR | SER | PHE | ASN | CYS | ALA | LYS | GLU | ||||
| 6 | GLY | GLU | VAL | CYS | GLY | TRP | GLY | SER | LYS | CYS | ||||
| 7 | CYS | HIS | GLY | LEU | ASP | CYS | PRO | LEU | ALA | PHE | ||||
| 8 | ILE | PRO | TYR | CYS | GLU | LYS | TYR | ARG |
Samples:
sample_1: Double knot toxin, [U-13C; U-15N], 300 uM; sodium phosphate 20 mM; DSS 10 uM; sodium azide 0.02 % w/v
sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CCPNMR, CCPN - data analysis
NMR spectrometers:
- Bruker Avance 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts