BMRB Entry 34791
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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/BMR34791
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: JzTx-34 toxin peptide H18A mutant PubMed: 37453200
Deposition date: 2023-02-13 Original release date: 2023-09-20
Authors: Landon, C.; Meudal, H.
Citation: Lopez, L.; De Waard, S.; Meudal, H.; Caumes, C.; Khakh, K.; Peigneur, S.; Oliveira-Mendes, B.; Lin, S.; De Waele, J.; Montnach, J.; Cestele, S.; Tessier, A.; Johnson, J.; Mantegazza, M.; Tytgat, J.; Cohen, C.; Beroud, R.; Bosmans, F.; Landon, C.; De Waard, M.. "Structure-function relationship of new peptides activating human Na v 1.1." Biomed Pharmacother 165, 115173-115173 (2023).
Assembly members:
entity_1, polymer, 35 residues, 4096.739 Da.
Natural source: Common Name: spiders Taxonomy ID: 278059 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Chilobrachys not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: ACREWLGGCSKDADCCAALE
CRKKWPYHCVWDWTV
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 31 |
| 1H chemical shifts | 235 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 35 residues - 4096.739 Da.
| 1 | ALA | CYS | ARG | GLU | TRP | LEU | GLY | GLY | CYS | SER | ||||
| 2 | LYS | ASP | ALA | ASP | CYS | CYS | ALA | ALA | LEU | GLU | ||||
| 3 | CYS | ARG | LYS | LYS | TRP | PRO | TYR | HIS | CYS | VAL | ||||
| 4 | TRP | ASP | TRP | THR | VAL |
Samples:
sample_1: JzTx-34 H18A mutant (Jingzhaotoxin-34), unlabelled, 0.1 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
ARIA v2.3, Linge, O'Donoghue and Nilges - refinement, structure calculation
CcpNmr Analysis v2.1, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III HD 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts