BMRB Entry 53285
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53285
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Silva, Micael; Viegas, Aldino; O'Toole, Philip; Felix, Sara; Figueiredo, Angelo Miguel; Cabrita, Eurico. "Shifting the equilibrium: a molecular insight into the folded-unfolded equilibrium of a model protein in ionic liquids" Int. J. Biol. Macromol. ., .-. (2026).
PubMed: 41765296
Assembly members:
entity_1, polymer, 59 residues, Formula weight is not available
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-11d
Entity Sequences (FASTA):
entity_1: MEAIAKHDFSATADDELSFR
KTQILKILNMEDDSNWYRAE
LDGKEGLIPSNYIEMKNHD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 688 |
| 15N chemical shifts | 225 |
| 1H chemical shifts | 225 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | drkN SH3, folded | 1 |
| 2 | drkN SH3, unfolded | 1 |
Entities:
Entity 1, drkN SH3, folded 59 residues - Formula weight is not available
| 1 | MET | GLU | ALA | ILE | ALA | LYS | HIS | ASP | PHE | SER | ||||
| 2 | ALA | THR | ALA | ASP | ASP | GLU | LEU | SER | PHE | ARG | ||||
| 3 | LYS | THR | GLN | ILE | LEU | LYS | ILE | LEU | ASN | MET | ||||
| 4 | GLU | ASP | ASP | SER | ASN | TRP | TYR | ARG | ALA | GLU | ||||
| 5 | LEU | ASP | GLY | LYS | GLU | GLY | LEU | ILE | PRO | SER | ||||
| 6 | ASN | TYR | ILE | GLU | MET | LYS | ASN | HIS | ASP |
Samples:
sample_1: drkN SH3, [U-99% 13C; U-99% 15N], 0.75 mM; sodium azide 0.1 % v/v; DSS 50 uM
sample_2: drkN SH3, [U-99% 13C; U-99% 15N], 0.75 mM; sodium azide 0.1 % v/v; DSS 50 uM; [Choline][Glutamate] 1 M
sample_3: drkN SH3, [U-99% 13C; U-99% 15N], 0.75 mM; sodium azide 0.1 % v/v; DSS 50 uM; [Bmim][DCA] 1 M
sample_conditions_1: pH: 7.1; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMRPipe - processing
SMILE - processing
CcpNMR v3.0 - chemical shift assignment, data analysis
NMRbox - processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks