BMRB Entry 26334
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26334
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Title: NMR chemical shift assignments for melittin in methanol PubMed: 36266498
Deposition date: 2022-08-30 Original release date: 2022-12-06
Authors: Miura, Yoshinori
Citation: Miura, Yoshinori. "alpha-proton Chemical Shift Index and Amide Proton Chemical Shift Temperature Coefficient of Melittin in Methanol: Indicators for a Helix Structure and an Intra-Molecular Hydrogen Bond?" Protein J. 41, 625-635 (2022).
Assembly members:
melittin, polymer, 26 residues, Formula weight is not available
Natural source: Common Name: honey bee Taxonomy ID: 7460 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Apis mellifera
Experimental source: Production method: obtained from a vendor
Entity Sequences (FASTA):
melittin: GIGAVLKVLTTGLPALISWI
KRKRQQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 196 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | melittin | 1 |
Entities:
Entity 1, melittin 26 residues - Formula weight is not available
| 1 | GLY | ILE | GLY | ALA | VAL | LEU | LYS | VAL | LEU | THR | ||||
| 2 | THR | GLY | LEU | PRO | ALA | LEU | ILE | SER | TRP | ILE | ||||
| 3 | LYS | ARG | LYS | ARG | GLN | GLN |
Samples:
sample_1: melittin 2.6 mM; methanol 100%
sample_conditions_1: ionic strength: 0 M; pH: 6.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NUTS - data analysis
NMR spectrometers:
- Varian INOVA 500 MHz