BMRB Entry 17015
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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/BMR17015
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Title: CUPIENNIN 1A, NMR, MINIMIZED AVERAGE STRUCTURE PubMed: 17319697
Deposition date: 2010-06-22 Original release date: 2011-06-01
Authors: Pukala, T.; Boland, M.; Gehman, J.; Kuhn-Nentwig, L.; Separovic, F.; Bowie, J.
Citation: Pukala, Tara; Boland, Martin; Gehman, John; Kuhn-Nentwig, Lucia; Separovic, Frances; Bowie, John. "Solution structure and interaction of cupiennin 1a, a spider venom peptide, with phospholipid bilayers." Biochemistry 46, 3576-3585 (2007).
Assembly members:
CUPIENNIN_1A, polymer, 35 residues, 3807.631 Da.
Natural source: Common Name: spider Taxonomy ID: 6928 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Cupiennius salei
Experimental source: Production method: purified from the natural source Host organism: Cupiennius Salei
Entity Sequences (FASTA):
CUPIENNIN_1A: GFGALFKFLAKKVAKTVAKQ
AAKQGAKYVVNKQME
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 35 |
| 1H chemical shifts | 268 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CUPIENNIN 1A | 1 |
Entities:
Entity 1, CUPIENNIN 1A 35 residues - 3807.631 Da.
| 1 | GLY | PHE | GLY | ALA | LEU | PHE | LYS | PHE | LEU | ALA | ||||
| 2 | LYS | LYS | VAL | ALA | LYS | THR | VAL | ALA | LYS | GLN | ||||
| 3 | ALA | ALA | LYS | GLN | GLY | ALA | LYS | TYR | VAL | VAL | ||||
| 4 | ASN | LYS | GLN | MET | GLU |
Samples:
sample_1: CUPIENNIN 1A 2 mM; trifluoroethanol; water
sample_conditions_1: pH: 2.6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
ARIA, Linge, O, . - structure solution
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz