BMRB Entry 51074
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51074
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Title: Backbone and Ile, Leu, Val methyl groups resonances assignment of Cov-Y domain of SARS-CoV-2 non-structural protein 3 PubMed: 34792756
Deposition date: 2021-09-02 Original release date: 2021-11-21
Authors: Pustovalova, Yulia; Hoch, Jeffrey
Citation: Pustovalova, Yulia; Gorbatyuk, Oksana; Li, Yunfeng; Hao, Bing; Hoch, Jeffrey. "Backbone and Ile, Leu, Val methyl group resonance assignment of CoV-Y domain of SARS-CoV-2 non-structural protein 3" Biomol. NMR Assign. 16, 57-62 (2021).
Assembly members:
entity_1, polymer, 286 residues, 31513 Da.
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: pET28b(+)
Entity Sequences (FASTA):
entity_1: KRPINPTDQSSYIVDSVTVK
NGSIHLYFDKAGQKTYERHS
LSHFVNLDNLRANNTKGSLP
INVIVFDGKSKCEESSAKSA
SVYYSQLMCQPILLLDQALV
SDVGDSAEVAVKMFDAYVNT
FSSTFNVPMEKLKTLVATAE
AELAKNVSLDNVLSTFISAA
RQGFVDSDVETKDVVECLKL
SHQSDIEVTGDSCNNYMLTY
NKVENMTPRDLGACIDCSAR
HINAQVAKSHNIALIWNVKD
FMSLSEQLRKQIRSAAKKNN
LPFKLTCATTRQVVNVVTTK
IALKGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 966 |
| 15N chemical shifts | 271 |
| 1H chemical shifts | 604 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | nsp3-CovY | 1 |
Entities:
Entity 1, nsp3-CovY 286 residues - 31513 Da.
Cov-Y domain corresponds to residues 1660-1945 of SARS-Cov-2 nsp3.
| 1 | LYS | ARG | PRO | ILE | ASN | PRO | THR | ASP | GLN | SER | ||||
| 2 | SER | TYR | ILE | VAL | ASP | SER | VAL | THR | VAL | LYS | ||||
| 3 | ASN | GLY | SER | ILE | HIS | LEU | TYR | PHE | ASP | LYS | ||||
| 4 | ALA | GLY | GLN | LYS | THR | TYR | GLU | ARG | HIS | SER | ||||
| 5 | LEU | SER | HIS | PHE | VAL | ASN | LEU | ASP | ASN | LEU | ||||
| 6 | ARG | ALA | ASN | ASN | THR | LYS | GLY | SER | LEU | PRO | ||||
| 7 | ILE | ASN | VAL | ILE | VAL | PHE | ASP | GLY | LYS | SER | ||||
| 8 | LYS | CYS | GLU | GLU | SER | SER | ALA | LYS | SER | ALA | ||||
| 9 | SER | VAL | TYR | TYR | SER | GLN | LEU | MET | CYS | GLN | ||||
| 10 | PRO | ILE | LEU | LEU | LEU | ASP | GLN | ALA | LEU | VAL | ||||
| 11 | SER | ASP | VAL | GLY | ASP | SER | ALA | GLU | VAL | ALA | ||||
| 12 | VAL | LYS | MET | PHE | ASP | ALA | TYR | VAL | ASN | THR | ||||
| 13 | PHE | SER | SER | THR | PHE | ASN | VAL | PRO | MET | GLU | ||||
| 14 | LYS | LEU | LYS | THR | LEU | VAL | ALA | THR | ALA | GLU | ||||
| 15 | ALA | GLU | LEU | ALA | LYS | ASN | VAL | SER | LEU | ASP | ||||
| 16 | ASN | VAL | LEU | SER | THR | PHE | ILE | SER | ALA | ALA | ||||
| 17 | ARG | GLN | GLY | PHE | VAL | ASP | SER | ASP | VAL | GLU | ||||
| 18 | THR | LYS | ASP | VAL | VAL | GLU | CYS | LEU | LYS | LEU | ||||
| 19 | SER | HIS | GLN | SER | ASP | ILE | GLU | VAL | THR | GLY | ||||
| 20 | ASP | SER | CYS | ASN | ASN | TYR | MET | LEU | THR | TYR | ||||
| 21 | ASN | LYS | VAL | GLU | ASN | MET | THR | PRO | ARG | ASP | ||||
| 22 | LEU | GLY | ALA | CYS | ILE | ASP | CYS | SER | ALA | ARG | ||||
| 23 | HIS | ILE | ASN | ALA | GLN | VAL | ALA | LYS | SER | HIS | ||||
| 24 | ASN | ILE | ALA | LEU | ILE | TRP | ASN | VAL | LYS | ASP | ||||
| 25 | PHE | MET | SER | LEU | SER | GLU | GLN | LEU | ARG | LYS | ||||
| 26 | GLN | ILE | ARG | SER | ALA | ALA | LYS | LYS | ASN | ASN | ||||
| 27 | LEU | PRO | PHE | LYS | LEU | THR | CYS | ALA | THR | THR | ||||
| 28 | ARG | GLN | VAL | VAL | ASN | VAL | VAL | THR | THR | LYS | ||||
| 29 | ILE | ALA | LEU | LYS | GLY | GLY |
Samples:
sample_1: nsp3-CovY, [U-100% 13C; U-100% 15N; U-80% 2H], 0.35 mM; MOPS 20 mM; lithium bromide 100 mM; DTT 2 mM; sodium azide 0.01%
sample_2: nsp3-CovY, [U-15N; U-2H; 99% 13C,1HD-Ile,Leu; 99% 13C,1HG-Val], 0.25 mM; MOPS 20 mM; lithium bromide 100 mM; DTT 2 mM; sodium azide 0.01%
sample_conditions_1: ionic strength: 120 mM; pH: 6.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | 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 HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HMCMCGCBCA | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
CARA - data analysis
CcpNMR - data analysis
NMR spectrometers:
- Varian INOVA 800 MHz
Related Database Links:
| NCBI | YP_009742610.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts