BMRB Entry 34732
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PDB ID:
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Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34732
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Title: Solution structure of Pi6, a low affinity blocking kappa-K+-channel peptide from the scorpion Pandinus imperator
Deposition date: 2022-05-05 Original release date: 2022-05-16
Authors: Delepierre, M.; Olamendi Portugal, T.; Possani, L.; Guijarro, J.
Citation: Guijarro, J.. "Solution structure of Pi6, a low affinity blocking kappa-K+-channel peptide from the scorpion Pandinus imperator" Not Published ., .-..
Assembly members:
entity_1, polymer, 28 residues, 3134.543 Da.
Natural source: Common Name: emperor scorpion Taxonomy ID: 55084 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pandinus imperator
Experimental source: Production method: .
Entity Sequences (FASTA):
entity_1: VDACYEACMHHHMNSDDCIE
ACKNPVPP
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 177 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 28 residues - 3134.543 Da.
| 1 | VAL | ASP | ALA | CYS | TYR | GLU | ALA | CYS | MET | HIS | ||||
| 2 | HIS | HIS | MET | ASN | SER | ASP | ASP | CYS | ILE | GLU | ||||
| 3 | ALA | CYS | LYS | ASN | PRO | VAL | PRO | PRO |
Samples:
sample_1: pi6 0.19 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 298.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
ARIA, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking
TopSpin v4.1, Bruker Biospin - collection
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz