BMRB Entry 50620
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50620
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Title: 1H, 13C and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein) PubMed: 33770349
Deposition date: 2020-12-07 Original release date: 2021-06-01
Authors: Wang, Ying; Kirkpatrick, John; Carlomagno, Teresa
Citation: Wang, Ying; Kirkpatrick, John; Zur Lage, Susanne; Korn, Sophie; Neissner, Konstantin; Schwalbe, Harald; Schlundt, Andreas; Carlomagno, Teresa. "1H, 13C, and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein)" Biomol. NMR Assignments 15, 287-295 (2021).
Assembly members:
entity_1, polymer, 182 residues, Formula weight is not available
Natural source: Common Name: SARS-CoV-2 Taxonomy ID: 2697049 Superkingdom: Viruses Kingdom: not available Genus/species: Betacoronavirus HCoV-SARS
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETM11
Entity Sequences (FASTA):
entity_1: GAMESLVPGFNEKTHVQLSL
PVLQVRDVLVRGFGDSVEEV
LSEARQHLKDGTCGLVEVEK
GVLPQLEQPYVFIKRSDART
APHGHVMVELVAELEGIQYG
RSGETLGVLVPHVGEIPVAY
RKVLLRKNGNKGAGGHSYGA
DLKSFDLGDELGTDPYEDFQ
ENWNTKHSSGVTRELMRELN
GG
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 505 |
15N chemical shifts | 165 |
1H chemical shifts | 165 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Nsp1 | 1 |
Entities:
Entity 1, Nsp1 182 residues - Formula weight is not available
The first two residues (GA) in the protein construct used are cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-1', so that the third residue has residue-number '1'.
1 | GLY | ALA | MET | GLU | SER | LEU | VAL | PRO | GLY | PHE | ||||
2 | ASN | GLU | LYS | THR | HIS | VAL | GLN | LEU | SER | LEU | ||||
3 | PRO | VAL | LEU | GLN | VAL | ARG | ASP | VAL | LEU | VAL | ||||
4 | ARG | GLY | PHE | GLY | ASP | SER | VAL | GLU | GLU | VAL | ||||
5 | LEU | SER | GLU | ALA | ARG | GLN | HIS | LEU | LYS | ASP | ||||
6 | GLY | THR | CYS | GLY | LEU | VAL | GLU | VAL | GLU | LYS | ||||
7 | GLY | VAL | LEU | PRO | GLN | LEU | GLU | GLN | PRO | TYR | ||||
8 | VAL | PHE | ILE | LYS | ARG | SER | ASP | ALA | ARG | THR | ||||
9 | ALA | PRO | HIS | GLY | HIS | VAL | MET | VAL | GLU | LEU | ||||
10 | VAL | ALA | GLU | LEU | GLU | GLY | ILE | GLN | TYR | GLY | ||||
11 | ARG | SER | GLY | GLU | THR | LEU | GLY | VAL | LEU | VAL | ||||
12 | PRO | HIS | VAL | GLY | GLU | ILE | PRO | VAL | ALA | TYR | ||||
13 | ARG | LYS | VAL | LEU | LEU | ARG | LYS | ASN | GLY | ASN | ||||
14 | LYS | GLY | ALA | GLY | GLY | HIS | SER | TYR | GLY | ALA | ||||
15 | ASP | LEU | LYS | SER | PHE | ASP | LEU | GLY | ASP | GLU | ||||
16 | LEU | GLY | THR | ASP | PRO | TYR | GLU | ASP | PHE | GLN | ||||
17 | GLU | ASN | TRP | ASN | THR | LYS | HIS | SER | SER | GLY | ||||
18 | VAL | THR | ARG | GLU | LEU | MET | ARG | GLU | LEU | ASN | ||||
19 | GLY | GLY |
Samples:
sample_1: Nsp1, [U-13C; U-15N], 350 uM; sodium phosphate 50 mM; sodium chloride 200 mM; DTT 2 mM; EDTA 2 mM; sodium azide 0.01%; DSS 0.001%; D2O, [U-2H], 10%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2 - collection
NMRPipe v10.1 - processing
CcpNMR v2.4 - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III HD 600 MHz
- Bruker AVANCE III HD 850 MHz
Related Database Links:
NCBI | YP_009725297.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts