BMRB Entry 18587
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18587
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Title: MHV nsp3a PubMed: 23302895
Deposition date: 2012-07-10 Original release date: 2013-02-28
Authors: Keane, Sarah; Giedroc, David
Citation: Keane, Sarah; Giedroc, David. "Solution Structure of Mouse Hepatitis Virus (MHV) nsp3a and Determinants of the Interaction with MHV Nucleocapsid (N) Protein." J. Virol. 87, 3502-3515 (2013).
Assembly members:
MHV_nsp3a, polymer, 114 residues, Formula weight is not available
Natural source: Common Name: Murine hepatitis virus Taxonomy ID: 11138 Superkingdom: Viruse Kingdom: not available Genus/species: Betacoronavirus not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MHV_nsp3a: GKKVEFNDKPKVRKIPSTRK
IKITFALDATFDSVLSKACS
EFEVDKDVTLDELLDVVLDA
VESTLSPCKEHDVIGTKVCA
LLDRLAGDYVYLFDEGGDEV
IAPRMYCSFSAPDD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 407 |
| 15N chemical shifts | 107 |
| 1H chemical shifts | 732 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | nsp3a | 1 |
Entities:
Entity 1, nsp3a 114 residues - Formula weight is not available
| 1 | GLY | LYS | LYS | VAL | GLU | PHE | ASN | ASP | LYS | PRO | ||||
| 2 | LYS | VAL | ARG | LYS | ILE | PRO | SER | THR | ARG | LYS | ||||
| 3 | ILE | LYS | ILE | THR | PHE | ALA | LEU | ASP | ALA | THR | ||||
| 4 | PHE | ASP | SER | VAL | LEU | SER | LYS | ALA | CYS | SER | ||||
| 5 | GLU | PHE | GLU | VAL | ASP | LYS | ASP | VAL | THR | LEU | ||||
| 6 | ASP | GLU | LEU | LEU | ASP | VAL | VAL | LEU | ASP | ALA | ||||
| 7 | VAL | GLU | SER | THR | LEU | SER | PRO | CYS | LYS | GLU | ||||
| 8 | HIS | ASP | VAL | ILE | GLY | THR | LYS | VAL | CYS | ALA | ||||
| 9 | LEU | LEU | ASP | ARG | LEU | ALA | GLY | ASP | TYR | VAL | ||||
| 10 | TYR | LEU | PHE | ASP | GLU | GLY | GLY | ASP | GLU | VAL | ||||
| 11 | ILE | ALA | PRO | ARG | MET | TYR | CYS | SER | PHE | SER | ||||
| 12 | ALA | PRO | ASP | ASP |
Samples:
sample_1: MHV nsp3a, [U-100% 13C; U-100% 15N], 200 uM; potassium chloride 100 mM; potassium phosphate 50 mM; TCEP 5 mM; H2O 90%; D2O 10%
sample_2: MHV nsp3a, [U-100% 13C; U-100% 15N], 200 uM; potassium chloride 100 mM; potassium phosphate 50 mM; TCEP 5 mM; D2O 100%
sample_conditions_1: ionic strength: 0.15 M; pH: 6.00; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDHD | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Varian VNMRS 600 MHz
- Varian VNMRS 800 MHz
Related Database Links:
| PDB | |
| GB | AAB86820 AAF69341 AAU06352 AAU06353 AAX23975 |
| REF | NP_045298 NP_068668 NP_740609 |
| SP | P0C6V0 P0C6X9 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts