BMRB Entry 52105
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52105
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Title: 1H and 15N chemical shift assignments of K6-linked di-ubiquitin with chain-terminating mutations
Deposition date: 2023-08-28 Original release date: 2023-08-30
Authors: Kurbah, Iladeiti; Fushman, David
Citation: Kurbah, Iladeiti; Fushman, David. "1H and 15N chemical shift assignments of K6-linked di-ubiquitin with chain-terminating mutations" Biomol. NMR Assignments ., .-..
Assembly members:
entity_1, polymer, 77 residues, 8707.95 Da.
entity_2, polymer, 76 residues, 8620.87 Da.
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: pET-3a
Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGRQLEDGRTLSDYN
IQKESTLHLVLRLRGGD
entity_2: MQIFVRTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGRQLEDGRTLSDYN
IQKESTLHLVLRLRGG
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 142 |
| 1H chemical shifts | 142 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ubiquitin, Chain A | 1 |
| 2 | ubiquitin, Chain B | 2 |
Entities:
Entity 1, ubiquitin, Chain A 77 residues - 8707.95 Da.
Proximal domain of K6-linked di-ubiquitin
| 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 | ARG | 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 | ASP |
Entity 2, ubiquitin, Chain B 76 residues - 8620.87 Da.
Distal domain of K6-linked di-ubiquitin
| 1 | MET | GLN | ILE | PHE | VAL | ARG | 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 | ARG | 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: entity_1, [U-100% 15N], 150 uM; entity_2 150 uM; sodium phosphate 20 mM
sample_2: entity_1 50 uM; entity_2, [U-100% 15N], 50 uM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 296 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRFAM-SPARKY v1.470 - chemical shift assignment, peak picking
TOPSPIN v4.1.4 - processing of raw NMR data
NMR spectrometers:
- Bruker AVANCE III HD 800 MHz
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts