BMRB Entry 30842
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30842
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Fu, Q.; Chou, J.. "A Trimeric Hydrophobic Zipper Mediates the Intramembrane Assembly of SARS-CoV-2 Spike." J. Am. Chem. Soc. 143, 8543-8546 (2021).
PubMed: 34086443
Assembly members:
entity_1, polymer, 21 residues, 2200.703 Da.
Natural source: Common Name: 2019-nCoV Taxonomy ID: 2697049 Superkingdom: Viruses Kingdom: not available Genus/species: Betacoronavirus HCoV-SARS
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: WLGFIAGLIAIVLVTILLSS
T
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 41 |
| 15N chemical shifts | 20 |
| 1H chemical shifts | 20 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
| 3 | unit_3 | 1 |
Entities:
Entity 1, unit_1 21 residues - 2200.703 Da.
| 1 | TRP | LEU | GLY | PHE | ILE | ALA | GLY | LEU | ILE | ALA | ||||
| 2 | ILE | VAL | LEU | VAL | THR | ILE | LEU | LEU | SER | SER | ||||
| 3 | THR |
Samples:
sample_1: 1,2-dimyristoyl-sn-Glycero-3-Phosphocholine, [U-99% 2H], 55 mM; 1,2-dihexanoyl-sn-Glycero-3-Phosphocholine, [U-99% 2H], 100 mM; TRIS 20 mM; sodium azide 0.02%; sodium chloride 20 mM; Spike glycoprotein, [U-13C; U-15N], 1 mM
sample_2: 1,2-dimyristoyl-sn-Glycero-3-Phosphocholine, [U-99% 2H], 55 mM; 1,2-dihexanoyl-sn-Glycero-3-Phosphocholine, [U-99% 2H], 100 mM; TRIS 20 mM; sodium azide 0.02%; sodium chloride 20 mM; Spike glycoprotein, [U-13C; U-15N; U-2H], 1 mM
sample_3: 1,2-dimyristoyl-sn-Glycero-3-Phosphocholine 55 mM; 1,2-dihexanoyl-sn-Glycero-3-Phosphocholine 100 mM; TRIS 20 mM; sodium azide 0.02%; sodium chloride 20 mM; Spike glycoprotein, [U-15N; U-2H], 1 mM
sample_4: 1,2-dimyristoyl-sn-Glycero-3-Phosphocholine 55 mM; 1,2-dihexanoyl-sn-Glycero-3-Phosphocholine 100 mM; TRIS 20 mM; sodium azide 0.02%; sodium chloride 20 mM; Spike glycoprotein, [U-13C; U-15N; U-2H], 1 mM
sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_4 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_4 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_4 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC NH2 only | sample_3 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH v2.48, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
XEASY, Bartels et al. - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE 600 MHz
- Bruker AVANCE 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks