BMRB Entry 27799
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27799
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Liess, Anna; Kucerova, Alena; Schweimer, Kristian; Yu, Lu; Roumeliotis, Theodoros; Diebold, Mathias; Dybkov, Olexandr; Sotriffer, Christoph; Urlaub, Henning; Choudhary, Jyoti; Mansfeld, Jorg; Lorenz, Sonja. "Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination" Structure 27, 1195-1210 (2019).
PubMed: 31230944
Assembly members:
UBE2S, polymer, 156 residues, Formula weight is not available
Ubiquitin, polymer, 76 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: modified pSKB2 vector
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 162 |
| 15N chemical shifts | 144 |
| 1H chemical shifts | 143 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | UBE2S | 1 |
| 2 | Ubiquitin | 2 |
Entities:
Entity 1, UBE2S 156 residues - Formula weight is not available
| 1 | MET | ASN | SER | ASN | VAL | GLU | ASN | LEU | PRO | PRO | ||||
| 2 | HIS | ILE | ILE | ARG | LEU | VAL | TYR | LYS | GLU | VAL | ||||
| 3 | THR | THR | LEU | THR | ALA | ASP | PRO | PRO | ASP | GLY | ||||
| 4 | ILE | LYS | VAL | PHE | PRO | ASN | GLU | GLU | ASP | LEU | ||||
| 5 | THR | ASP | LEU | GLN | VAL | THR | ILE | GLU | GLY | PRO | ||||
| 6 | GLU | GLY | THR | PRO | TYR | ALA | GLY | GLY | LEU | PHE | ||||
| 7 | ARG | MET | LYS | LEU | LEU | LEU | GLY | LYS | ASP | PHE | ||||
| 8 | PRO | ALA | SER | PRO | PRO | LYS | GLY | TYR | PHE | LEU | ||||
| 9 | THR | LYS | ILE | PHE | HIS | PRO | ASN | VAL | GLY | ALA | ||||
| 10 | ASN | GLY | GLU | ILE | SER | VAL | ASN | VAL | LEU | CYS | ||||
| 11 | ARG | ASP | TRP | THR | ALA | GLU | LEU | GLY | ILE | ARG | ||||
| 12 | HIS | VAL | LEU | LEU | THR | ILE | LYS | MET | LEU | LEU | ||||
| 13 | ILE | HIS | PRO | ASN | PRO | GLU | SER | ALA | LEU | ASN | ||||
| 14 | GLU | GLU | ALA | GLY | ARG | LEU | LEU | LEU | GLU | ASN | ||||
| 15 | TYR | GLU | GLU | TYR | ALA | ALA | ARG | ALA | ARG | LEU | ||||
| 16 | LEU | THR | GLU | ILE | HIS | GLY |
Entity 2, Ubiquitin 76 residues - Formula weight is not available
| 1 | MET | GLN | ILE | PHE | VAL | LYS | THR | LEU | THR | GLY | ||||
| 2 | LYS | THR | ILE | THR | LEU | GLU | VAL | GLU | PRO | SER | ||||
| 3 | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | LYS | ILE | ||||
| 4 | GLN | ASP | LYS | GLU | GLY | ILE | PRO | PRO | ASP | GLN | ||||
| 5 | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | GLN | LEU | ||||
| 6 | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | TYR | ASN | ||||
| 7 | ILE | GLN | LYS | GLU | SER | THR | LEU | HIS | LEU | VAL | ||||
| 8 | LEU | ARG | LEU | ARG | GLY | CYS |
Samples:
sample_1: UBE2S, [U-100% 13C; U-100% 15N], 0.46 mM; Ubiquitin, [U-100% 13C; U-100% 15N], 0.46 mM; D2O 10%; sodium phosphate 75 mM; EDTA 1 mM
sample_conditions_1: ionic strength: 75 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks