BMRB Entry 25122
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25122
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Cremonez, C.; Maiti, M.; Peigneur, S.; Cassoli, J.; Dutra, A.; Waelkens, E.; Lescrinier, E.; Herdewijn, P.; Pimenta, A.; De Lima, M.; Tytgat, J.; Arantes, E.. "Structural and functional elucidation of peptides Ts11 and Ts12 shows evidence for a novel subfamily of scorpion venom toxins" .
Assembly members:
TOXIN_Ts11, polymer, 29 residues, 2951.483 Da.
Natural source: Common Name: Brazilian scorpion Taxonomy ID: 6887 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus serrulatus
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
TOXIN_Ts11: KPKCGLCRYRCCSGGCSSGK
CVNGACDCS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 72 |
| 1H chemical shifts | 166 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TOXIN Ts11 | 1 |
Entities:
Entity 1, TOXIN Ts11 29 residues - 2951.483 Da.
| 1 | LYS | PRO | LYS | CYS | GLY | LEU | CYS | ARG | TYR | ARG | ||||
| 2 | CYS | CYS | SER | GLY | GLY | CYS | SER | SER | GLY | LYS | ||||
| 3 | CYS | VAL | ASN | GLY | ALA | CYS | ASP | CYS | SER |
Samples:
sample: TOXIN Ts11 1.7 mM
sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample | isotropic | sample_conditions_1 |
Software:
X-PLOR_NIH, SCHWIETERS, KUSZEWSKI, TJ - refinement
TOPSPIN v2.1, Bruker Biospin - processing
NMR spectrometers:
- BRUKER AVANCE 600 MHz