BMRB Entry 26709
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26709
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Title: Backbone Assignment of Human linear diubiquitin PubMed: 26740240
Deposition date: 2015-11-26 Original release date: 2016-01-14
Authors: Halander, Jenny; Messias, Ana; Geerlof, Arie; Sattler, Michael
Citation: Vincendeau, Michelle; Kamyar, Hadian; Messias, Ana; Brenke, Jara; Halander, Jenny; Griesbach, Richard; Greczmiel, Ute; Bertossi, Arianna; Stehle, Ralf; Nagel, Daniel; Demski, Kathrin; Velvarska, Hana; Niessing, Dierk; Geerlof, Arie; Sattler, Michael; Krappmann, Daniel. "Inhibition of Canonical NF-kB Signaling by a Small Molecule Targeting NEMO-Ubiquitin Interaction" Sci. Rep. 6, 18934-18934 (2016).
Assembly members:
linear_diubiquitin, polymer, 162 residues, 18220.8 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
Entity Sequences (FASTA):
linear_diubiquitin: MASHHHHHHGAQIFVKTLTG
KTITLEVEPSDTIENVKAKI
QDKEGIPPDQQRLIFAGKQL
EDGRTLSDYNIQKESTLHLV
LRLRGGMQIFVKTLTGKTIT
LEVEPSDTIENVKAKIQDKE
GIPPDQQRLIFAGKQLEDGR
TLSDYNIQKESTLHLVLRLR
GG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 255 |
| 15N chemical shifts | 132 |
| 1H chemical shifts | 132 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | linear diubiquitin | 1 |
Entities:
Entity 1, linear diubiquitin 162 residues - 18220.8 Da.
Residues 1-11 are non-native residues part of the N-terminal affinity tag.
| 1 | MET | ALA | SER | HIS | HIS | HIS | HIS | HIS | HIS | GLY | ||||
| 2 | ALA | GLN | ILE | PHE | VAL | LYS | THR | LEU | THR | GLY | ||||
| 3 | LYS | THR | ILE | THR | LEU | GLU | VAL | GLU | PRO | SER | ||||
| 4 | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | LYS | ILE | ||||
| 5 | GLN | ASP | LYS | GLU | GLY | ILE | PRO | PRO | ASP | GLN | ||||
| 6 | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | GLN | LEU | ||||
| 7 | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | TYR | ASN | ||||
| 8 | ILE | GLN | LYS | GLU | SER | THR | LEU | HIS | LEU | VAL | ||||
| 9 | LEU | ARG | LEU | ARG | GLY | GLY | MET | GLN | ILE | PHE | ||||
| 10 | VAL | LYS | THR | LEU | THR | GLY | LYS | THR | ILE | THR | ||||
| 11 | LEU | GLU | VAL | GLU | PRO | SER | ASP | THR | ILE | GLU | ||||
| 12 | ASN | VAL | LYS | ALA | LYS | ILE | GLN | ASP | LYS | GLU | ||||
| 13 | GLY | ILE | PRO | PRO | ASP | GLN | GLN | ARG | LEU | ILE | ||||
| 14 | PHE | ALA | GLY | LYS | GLN | LEU | GLU | ASP | GLY | ARG | ||||
| 15 | THR | LEU | SER | ASP | TYR | ASN | ILE | GLN | LYS | GLU | ||||
| 16 | SER | THR | LEU | HIS | LEU | VAL | LEU | ARG | LEU | ARG | ||||
| 17 | GLY | GLY |
Samples:
sample_1: linear diubiquitin, [U-100% 13C; U-100% 15N], 0.9 mM; D2O 10%; Tris-HCl, [U-2H], 20 mM; sodium chloride 50 mM
sample_conditions_1: ionic strength: 0.07 M; pH: 7.5; pressure: 1 atm; 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AV III 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts