BMRB Entry 36047
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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/BMR36047
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Title: Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans PubMed: 29358396
Deposition date: 2017-01-23 Original release date: 2018-01-22
Authors: Wu, F.; Luo, L.; Qu, D.; Zhang, L.; Tian, C.; Lai, R.
Citation: Luo, Lei; Li, Bowen; Wang, Sheng; Wu, Fangming; Wang, Xiaochen; Liang, Ping; Ombati, Rose; Chen, Junji; Lu, Xiancui; Cui, Jianmin; Lu, Qiumin; Zhang, Longhua; Zhou, Ming; Tian, Changlin; Yang, Shilong; Lai, Ren. "Centipedes subdue giant prey by blocking KCNQ channels" Proc. Natl. Acad. Sci. U. S. A. 115, 1646-1651 (2018).
Assembly members:
SsTx, polymer, 53 residues, 6032.960 Da.
Natural source: Common Name: Scolopendra mutilans Taxonomy ID: 251420 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Scolopendra mutilans
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
SsTx: EVIKKDTPYKKRKFPYKSEC
LKACATSFTGGDESRIQEGK
PGFFKCTCYFTTG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 296 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 53 residues - 6032.960 Da.
| 1 | GLU | VAL | ILE | LYS | LYS | ASP | THR | PRO | TYR | LYS | ||||
| 2 | LYS | ARG | LYS | PHE | PRO | TYR | LYS | SER | GLU | CYS | ||||
| 3 | LEU | LYS | ALA | CYS | ALA | THR | SER | PHE | THR | GLY | ||||
| 4 | GLY | ASP | GLU | SER | ARG | ILE | GLN | GLU | GLY | LYS | ||||
| 5 | PRO | GLY | PHE | PHE | LYS | CYS | THR | CYS | TYR | PHE | ||||
| 6 | THR | THR | GLY |
Samples:
sample_1: SsTx 5 mM; sodium chloride 50 ± 2 mM; sodium phosphate 50 ± 2 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0.35 M; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
VNMR, Varian - collection
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
NMR spectrometers:
- Varian INOVA 700 MHz