BMRB Entry 15992
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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/BMR15992
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Hernandez-Lopez, Rogelio; del Rio-Portilla, Federico; Possani, Lourival; Gurrola-Briones, Georgina; Rodriguez de la Vega, Ricardo. "Solution structure of Vm24 synthetic scorpion toxin." .
Assembly members:
Vm24, polymer, 36 residues, 3879.684 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Vm24: AAAISCVGSPECPPKCRAQG
CKNGKCMNRKCKCYYC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 224 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | VM24 | 1 |
Entities:
Entity 1, VM24 36 residues - 3879.684 Da.
| 1 | ALA | ALA | ALA | ILE | SER | CYS | VAL | GLY | SER | PRO | ||||
| 2 | GLU | CYS | PRO | PRO | LYS | CYS | ARG | ALA | GLN | GLY | ||||
| 3 | CYS | LYS | ASN | GLY | LYS | CYS | MET | ASN | ARG | LYS | ||||
| 4 | CYS | LYS | CYS | TYR | TYR | CYS |
Samples:
sample_1: Vm24 1.2 ± 0.2 mM; H2O 95%; D2O 5%
sample_2: Vm24 1.2 ± 0.2 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 297 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 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-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, P.GUNTERT ET AL. - chemical shift assignment, refinement
AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - geometry optimization
XEASY, Bartels et al. - chemical shift assignment, peak picking
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian Unity 500 MHz