BMRB Entry 51466
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51466
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Title: Backbone 1H, 13C and 15N chemical shift assignments of the proximal domain of a K33-linked ubiquitin dimer (K33-linked diUb) comprising an artificial triazole linkage PubMed: 37557171
Deposition date: 2022-05-21 Original release date: 2023-07-27
Authors: Schneider, Tobias; Sawade, Kevin; Berner, Frederic; Peter, Christine; Kovermann, Michael
Citation: Schneider, Tobias; Sawade, Kevin; Berner, Frederic; Peter, Christine; Kovermann, Michael. "Specifying conformational heterogeneity of multi-domain proteins at atomic resolution" Structure 31, 1259-1274 (2023).
Assembly members:
entity_1, 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: pKS UbK33C-6His
Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDCEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLRLRGG
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 75 |
15N chemical shifts | 70 |
1H chemical shifts | 70 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | K33-linked diUb (proximal) | 1 |
Entities:
Entity 1, K33-linked diUb (proximal) 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 | CYS | 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 | GLY |
Samples:
sample_1: K33-linked diUb (proximal), [U-13C; U-15N], 580 uM; sodium phosphate 20 mM
sample_conditions_1: pH: 6.8; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N TROSY HSQC | sample_1 | isotropic | sample_conditions_1 |
3D TROSY HNCA | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMRPipe - processing
NMRView - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts