BMRB Entry 50593
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50593
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Title: nsP3 VEEV PubMed: 33321815
Deposition date: 2020-11-23 Original release date: 2021-06-30
Authors: Agback, Peter; Shernyukov, Andrey; Dominguez, Francisco; Agback, Tatiana; Frolova, Elena
Citation: Agback, Peter; Shernyukov, Andrey; Dominguez, Francisco; Agback, Tatiana; Frolova, Elena. "Novel NMR Assignment Strategy Reveals Structural Heterogeneity in Solution of the nsP3 HVD Domain of Venezuelan Equine Encephalitis Virus." Molecules 25, 5824-5824 (2020).
Assembly members:
entity_1, polymer, 189 residues, Formula weight is not available
Natural source: Common Name: alphavirus togaviridae Taxonomy ID: 11018 Superkingdom: Viruses Kingdom: not available Genus/species: alphavirus togaviridae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pE-SUMOpro-3
Entity Sequences (FASTA):
entity_1: GSLWVETPPVDETPEPSAEN
QSTEGTPEQPPLITEDETRT
RTPEPIIIEEEEEDSISLLS
DGPTHQVLQVEADIHGPPSV
SSSSWSIPHASDFDVDSLSI
LDTLEGASVTSGATSAETNS
YFAKSMEFLARPVPAPRTVF
RNPPHPAPRTRTPSLAPSRA
CSRTSLVSTPPGVNRVITRE
ELEALTPSR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 517 |
| 15N chemical shifts | 150 |
| 1H chemical shifts | 332 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | nsP3 | 1 |
Entities:
Entity 1, nsP3 189 residues - Formula weight is not available
| 1 | GLY | SER | LEU | TRP | VAL | GLU | THR | PRO | PRO | VAL | ||||
| 2 | ASP | GLU | THR | PRO | GLU | PRO | SER | ALA | GLU | ASN | ||||
| 3 | GLN | SER | THR | GLU | GLY | THR | PRO | GLU | GLN | PRO | ||||
| 4 | PRO | LEU | ILE | THR | GLU | ASP | GLU | THR | ARG | THR | ||||
| 5 | ARG | THR | PRO | GLU | PRO | ILE | ILE | ILE | GLU | GLU | ||||
| 6 | GLU | GLU | GLU | ASP | SER | ILE | SER | LEU | LEU | SER | ||||
| 7 | ASP | GLY | PRO | THR | HIS | GLN | VAL | LEU | GLN | VAL | ||||
| 8 | GLU | ALA | ASP | ILE | HIS | GLY | PRO | PRO | SER | VAL | ||||
| 9 | SER | SER | SER | SER | TRP | SER | ILE | PRO | HIS | ALA | ||||
| 10 | SER | ASP | PHE | ASP | VAL | ASP | SER | LEU | SER | ILE | ||||
| 11 | LEU | ASP | THR | LEU | GLU | GLY | ALA | SER | VAL | THR | ||||
| 12 | SER | GLY | ALA | THR | SER | ALA | GLU | THR | ASN | SER | ||||
| 13 | TYR | PHE | ALA | LYS | SER | MET | GLU | PHE | LEU | ALA | ||||
| 14 | ARG | PRO | VAL | PRO | ALA | PRO | ARG | THR | VAL | PHE | ||||
| 15 | ARG | ASN | PRO | PRO | HIS | PRO | ALA | PRO | ARG | THR | ||||
| 16 | ARG | THR | PRO | SER | LEU | ALA | PRO | SER | ARG | ALA | ||||
| 17 | CYS | SER | ARG | THR | SER | LEU | VAL | SER | THR | PRO | ||||
| 18 | PRO | GLY | VAL | ASN | ARG | VAL | ILE | THR | ARG | GLU | ||||
| 19 | GLU | LEU | GLU | ALA | LEU | THR | PRO | SER | ARG |
Samples:
sample_1: nsP3, [U-100% 13C; U-100% 15N], 765 ± 15 uM; TCEP 2 mM; NaN3 1 mM; sodium phosphate 50 mM
sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.5 - collection
TOPSPIN v4.0.5 - processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts