BMRB Entry 30531
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30531
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Title: Bat coronavirus HKU4 SUD-C
Deposition date: 2018-10-29 Original release date: 2019-09-06
Authors: Staup, A.; Johnson, M.
Citation: Staup, A.; De Silva, I.; Catt, J.; Hammond, R.; Tan, X.; Johnson, M.. "Structure of the SARS-Unique Domain C from the Bat Coronavirus HKU4" . ., .-..
Assembly members:
entity_1, polymer, 81 residues, 9122.299 Da.
Natural source: Common Name: Bat coronavirus Taxonomy ID: 694007 Superkingdom: Viruses Kingdom: not available Genus/species: Bat coronavirus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: SHMQTPETAFINNVTSNGGY
HSWHLVSGDLIVKDVCYKKL
LHWSGQTICYADNKFYVVKN
DVALPFSDLEACRAYLTSRA
A
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 324 |
| 15N chemical shifts | 85 |
| 1H chemical shifts | 535 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 81 residues - 9122.299 Da.
| 1 | SER | HIS | MET | GLN | THR | PRO | GLU | THR | ALA | PHE | ||||
| 2 | ILE | ASN | ASN | VAL | THR | SER | ASN | GLY | GLY | TYR | ||||
| 3 | HIS | SER | TRP | HIS | LEU | VAL | SER | GLY | ASP | LEU | ||||
| 4 | ILE | VAL | LYS | ASP | VAL | CYS | TYR | LYS | LYS | LEU | ||||
| 5 | LEU | HIS | TRP | SER | GLY | GLN | THR | ILE | CYS | TYR | ||||
| 6 | ALA | ASP | ASN | LYS | PHE | TYR | VAL | VAL | LYS | ASN | ||||
| 7 | ASP | VAL | ALA | LEU | PRO | PHE | SER | ASP | LEU | GLU | ||||
| 8 | ALA | CYS | ARG | ALA | TYR | LEU | THR | SER | ARG | ALA | ||||
| 9 | ALA |
Samples:
sample_1: sodium chloride 150 mM; DTT, [U-99% 2H], 3 mM; sodium phosphate 20 mM; HKU4 SUD-C, [U-99% 13C; U-99% 15N], 2 mM; sodium azide 0.02 % w/v
sample_2: sodium chloride 150 mM; sodium phosphate 20 mM; HKU4 SUD-C, [U-99% 15N], 2 mM; sodium azide 0.02 % w/v; dtt, [U-99% 2H], 3 mM
sample_conditions_1: ionic strength: 176 mM; pH: 6.00; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | anisotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | anisotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | anisotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | anisotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | anisotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | anisotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | anisotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_2 | anisotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | anisotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | anisotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
CARA, Keller and Wuthrich - chemical shift assignment
CANDID, Herrmann, Guntert and Wuthrich - peak picking
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceIII 850 MHz
- Bruker AvanceII 700 MHz
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts