BMRB Entry 51403
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51403
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Title: Backbone chemical shifts of VN NS1 W182A effector domain PubMed: 36182933
Deposition date: 2022-04-19 Original release date: 2023-02-20
Authors: Kim, Iktae; Cho, Jae-Hyun
Citation: Kim, Iktae; Dubrow, Alyssa; Zuniga, Bryan; Zhao, Baoyu; Sherer, Noah; Bastiray, Abhishek; Li, Pingwei; Cho, Jae-Hyun. "Energy landscape reshaped by strain-specific mutations underlies epistasis in NS1 evolution of influenza A virus" Nat. Commun. 13, 5775-5775 (2022).
Assembly members:
entity_1, polymer, 128 residues, Formula weight is not available
Natural source: Common Name: Influenza A Taxonomy ID: 11320 Superkingdom: Viruses Kingdom: not available Genus/species: Alphainfluenzavirus Influenza A
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-SUMO
Entity Sequences (FASTA):
entity_1: MPASRYLTDMTLEEMSRDWF
MLMPKQKVAGSLCIKMDQAI
MDKTIILKANFSVIFDRLET
LILLRAFTEEGAIVGEISPL
PSLPGHTGEDVKNAIGVLIG
GLEANDNTVRVTETIQRFAW
RNSDEDGR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 360 |
| 15N chemical shifts | 121 |
| 1H chemical shifts | 470 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NS1 effector domain | 1 |
Entities:
Entity 1, NS1 effector domain 128 residues - Formula weight is not available
| 1 | MET | PRO | ALA | SER | ARG | TYR | LEU | THR | ASP | MET | ||||
| 2 | THR | LEU | GLU | GLU | MET | SER | ARG | ASP | TRP | PHE | ||||
| 3 | MET | LEU | MET | PRO | LYS | GLN | LYS | VAL | ALA | GLY | ||||
| 4 | SER | LEU | CYS | ILE | LYS | MET | ASP | GLN | ALA | ILE | ||||
| 5 | MET | ASP | LYS | THR | ILE | ILE | LEU | LYS | ALA | ASN | ||||
| 6 | PHE | SER | VAL | ILE | PHE | ASP | ARG | LEU | GLU | THR | ||||
| 7 | LEU | ILE | LEU | LEU | ARG | ALA | PHE | THR | GLU | GLU | ||||
| 8 | GLY | ALA | ILE | VAL | GLY | GLU | ILE | SER | PRO | LEU | ||||
| 9 | PRO | SER | LEU | PRO | GLY | HIS | THR | GLY | GLU | ASP | ||||
| 10 | VAL | LYS | ASN | ALA | ILE | GLY | VAL | LEU | ILE | GLY | ||||
| 11 | GLY | LEU | GLU | ALA | ASN | ASP | ASN | THR | VAL | ARG | ||||
| 12 | VAL | THR | GLU | THR | ILE | GLN | ARG | PHE | ALA | TRP | ||||
| 13 | ARG | ASN | SER | ASP | GLU | ASP | GLY | ARG |
Samples:
sample_1: NS1 effector domain, [U-99% 13C; U-99% 15N], 0.2 mM; sodium phosphate 20 mM; sodium chloride 80 mM; EDTA 1 mM; TCEP 1 mM
sample_conditions_1: ionic strength: 80 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMRFAM-SPARKY - chemical shift assignment, peak picking
NMRPipe - processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts