BMRB Entry 26657
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26657
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Citation: Huang, Yi-Ping; Cho, Chao-Cheng; Chang, Chi-Fon; Hsu, Chun-Hua. "NMR assignments of the macro domain from Middle East respiratory syndrome coronavirus (MERS-CoV)" Biomol. NMR Assign. 10, 245-248 (2016).
PubMed: 26993639
Assembly members:
MERS-CoV_macro_domain, polymer, 168 residues, Formula weight is not available
Natural source: Common Name: viruses Taxonomy ID: 694002 Superkingdom: viruses Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
MERS-CoV_macro_domain: GSHMPLSNFEHKVITECVTI
VLGDAIQVAKCYGESVLVNA
ANTHLKHGGGIAGAINAASK
GAVQKESDEYILAKGPLQVG
DSVLLQGHSLAKNILHVVGP
DARAKQDVSLLSKCYKAMNA
YPLVVTPLVSAGIFGVKPAV
SFDYLIREAKTRVLVVVNSQ
DVYKSLTI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 578 |
| 15N chemical shifts | 158 |
| 1H chemical shifts | 904 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MERS-CoV macro domain, 1 | 1 |
| 2 | MERS-CoV macro domain, 2 | 1 |
Entities:
Entity 1, MERS-CoV macro domain, 1 168 residues - Formula weight is not available
Residues -3-0 represent extra residues
| 1 | GLY | SER | HIS | MET | PRO | LEU | SER | ASN | PHE | GLU | ||||
| 2 | HIS | LYS | VAL | ILE | THR | GLU | CYS | VAL | THR | ILE | ||||
| 3 | VAL | LEU | GLY | ASP | ALA | ILE | GLN | VAL | ALA | LYS | ||||
| 4 | CYS | TYR | GLY | GLU | SER | VAL | LEU | VAL | ASN | ALA | ||||
| 5 | ALA | ASN | THR | HIS | LEU | LYS | HIS | GLY | GLY | GLY | ||||
| 6 | ILE | ALA | GLY | ALA | ILE | ASN | ALA | ALA | SER | LYS | ||||
| 7 | GLY | ALA | VAL | GLN | LYS | GLU | SER | ASP | GLU | TYR | ||||
| 8 | ILE | LEU | ALA | LYS | GLY | PRO | LEU | GLN | VAL | GLY | ||||
| 9 | ASP | SER | VAL | LEU | LEU | GLN | GLY | HIS | SER | LEU | ||||
| 10 | ALA | LYS | ASN | ILE | LEU | HIS | VAL | VAL | GLY | PRO | ||||
| 11 | ASP | ALA | ARG | ALA | LYS | GLN | ASP | VAL | SER | LEU | ||||
| 12 | LEU | SER | LYS | CYS | TYR | LYS | ALA | MET | ASN | ALA | ||||
| 13 | TYR | PRO | LEU | VAL | VAL | THR | PRO | LEU | VAL | SER | ||||
| 14 | ALA | GLY | ILE | PHE | GLY | VAL | LYS | PRO | ALA | VAL | ||||
| 15 | SER | PHE | ASP | TYR | LEU | ILE | ARG | GLU | ALA | LYS | ||||
| 16 | THR | ARG | VAL | LEU | VAL | VAL | VAL | ASN | SER | GLN | ||||
| 17 | ASP | VAL | TYR | LYS | SER | LEU | THR | ILE |
Samples:
sample_1: MERS-CoV macro domain, [U-99% 13C; U-99% 15N], 0.1 mM; H2O 90%; D2O 10%; sodium phosphate 20 mM; NaCl100 – 150 mM
sample_2: MERS-CoV macro domain, [U-99% 13C; U-99% 15N], 0.1 mM; D2O 100%
sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks