BMRB Entry 53300
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53300
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Mackereth, Cameron; Morozov, Vasily; Huc, Ivan. "A protein-foldamer supramolecular synthon for self-assembled hybrid architectures
" .
Assembly members:
entity_1, polymer, 66 residues, Formula weight is not available
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: recombinant technology Host organism: Escherichia coli Vector: pMALc5e
Entity Sequences (FASTA):
entity_1: GPVKVKFKYKGEEKEVDTSK
ITHVFRHGKLVVFYYDDNGK
TGHGLVPEKDAPKELLDMLA
RAEREK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 140 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 91 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Affitin C10 | 1 |
Entities:
Entity 1, Affitin C10 66 residues - Formula weight is not available
| 1 | GLY | PRO | VAL | LYS | VAL | LYS | PHE | LYS | TYR | LYS | ||||
| 2 | GLY | GLU | GLU | LYS | GLU | VAL | ASP | THR | SER | LYS | ||||
| 3 | ILE | THR | HIS | VAL | PHE | ARG | HIS | GLY | LYS | LEU | ||||
| 4 | VAL | VAL | PHE | TYR | TYR | ASP | ASP | ASN | GLY | LYS | ||||
| 5 | THR | GLY | HIS | GLY | LEU | VAL | PRO | GLU | LYS | ASP | ||||
| 6 | ALA | PRO | LYS | GLU | LEU | LEU | ASP | MET | LEU | ALA | ||||
| 7 | ARG | ALA | GLU | ARG | GLU | LYS |
Samples:
sample_1: Affitin C10, [U-99% 13C; U-99% 15N], 270 uM; sodium chloride 137 mM; potassium chloride 2.7 mM; sodium phosphate 10 mM; potassium phosphate 1.8 mM; DMSO, [U-100% 2H], 5 % v/v
sample_conditions_1: ionic strength: 156 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D HACACONH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.0 - collection
NMRPipe v10.9 - processing
NMRFAM-SPARKY v1.470 - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks