BMRB Entry 34983
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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/BMR34983
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Antunes, A.; Lopez, L.; Montnach, J.; Meudal, H.; Khakh, K.; De Waard, S.; Jaquillard, L.; Cohen, C.; Bosmans, F.; Beroud, R.; Landon, C.; Servent, D.; Benoit, E.; De Waard, M.. "Nociceptive properties of U5-theraphotoxin-Hs1b, a novel peptide from the Cyriopagopus schmidti spider, active on NaV1.7 channel" .
Assembly members:
entity_1, polymer, 31 residues, 3519.105 Da.
Natural source: Common Name: Chinese earth tiger Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Cyriopagopus schmidti
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCFGYKCDYYKGCCSGYVCS
PTWKWCVRPGP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 24 |
| 15N chemical shifts | 26 |
| 1H chemical shifts | 195 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 31 residues - 3519.105 Da.
| 1 | GLY | CYS | PHE | GLY | TYR | LYS | CYS | ASP | TYR | TYR | ||||
| 2 | LYS | GLY | CYS | CYS | SER | GLY | TYR | VAL | CYS | SER | ||||
| 3 | PRO | THR | TRP | LYS | TRP | CYS | VAL | ARG | PRO | GLY | ||||
| 4 | PRO |
Samples:
sample_1: synthetic toxin 1.3 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA v2.3, Linge, O'Donoghue and Nilges - refinement
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
CcpNmr Analysis, 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 peaks
SPARKY: Backbone
or all simulated peaks