BMRB Entry 31104
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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/BMR31104
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Zhang, R.; Qin, H.; Prasad, R.; Fu, R.; Cross, T.; Zhou, H.. "SARS-CoV-2 Envelope Protein Transmembrane Domain: Dimeric Structure Determined by Solid-State NMR" .
PubMed: 37214926
Assembly members:
entity_1, polymer, 29 residues, 3088.807 Da.
Natural source: Common Name: 2019-nCoV, SARS-CoV-2 Taxonomy ID: 2697049 Superkingdom: Viruses Kingdom: not available Genus/species: Betacoronavirus HCoV-SARS
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: SNALIVNSVLLFLAFVVFLL
VTLAILTAL
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 22 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 29 residues - 3088.807 Da.
| 1 | SER | ASN | ALA | LEU | ILE | VAL | ASN | SER | VAL | LEU | ||||
| 2 | LEU | PHE | LEU | ALA | PHE | VAL | VAL | PHE | LEU | LEU | ||||
| 3 | VAL | THR | LEU | ALA | ILE | LEU | THR | ALA | LEU |
Samples:
sample_1: SARS-CoV-2 envelope protein transmembrane peptide, [U-100% 15N], 80 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_2: SARS-CoV-2 envelope protein transmembrane peptide, [U-15N]-Ile, 80 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_3: SARS-CoV-2 envelope protein transmembrane peptide, [U-15N]-Phe, 80 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_4: SARS-CoV-2 envelope protein transmembrane peptide, [U-15N]-Ala, 80 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_5: SARS-CoV-2 envelope protein transmembrane peptide, [U-15N]-Val, 80 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_6: SARS-CoV-2 envelope protein transmembrane peptide, [U-15N]-Thr, 80 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_7: SARS-CoV-2 envelope protein transmembrane peptide, [U-15N]-Leu, 80 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_8: SARS-CoV-2 envelope protein transmembrane peptide, [U-13C]-Leu, [U-13C]-Val, 40 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_9: SARS-CoV-2 envelope protein transmembrane peptide, [U-13C]-Leu, [U-13C]-Phe, 20 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_10: SARS-CoV-2 envelope protein transmembrane peptide, [U-13C]-Val, [U-13C]-Met, 20 ug/mL; POPC 400 ug/mL; POPG 100 ug/mL
sample_11: ammonium chloride salt, [U-15N], 100 saturated
sample_conditions_1: ionic strength: 5 mM; pH: 7.5; pressure: 1 atm; temperature: 295 K
sample_conditions_2: ionic strength: 5 mM; pH: 7.5; pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N PISEMA | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N PISEMA | sample_2 | anisotropic | sample_conditions_1 |
| 2D 1H-15N PISEMA | sample_3 | anisotropic | sample_conditions_1 |
| 2D 1H-15N PISEMA | sample_4 | anisotropic | sample_conditions_1 |
| 2D 1H-15N PISEMA | sample_5 | anisotropic | sample_conditions_1 |
| 2D 1H-15N PISEMA | sample_6 | anisotropic | sample_conditions_1 |
| 2D 1H-15N PISEMA | sample_7 | anisotropic | sample_conditions_1 |
| 2D 1H-13C DARR | sample_8 | anisotropic | sample_conditions_1 |
| 2D 1H-13C DARR | sample_10 | anisotropic | sample_conditions_1 |
| 2D 1H-13C DARR | sample_9 | anisotropic | sample_conditions_1 |
| 1D zg | sample_11 | anisotropic | sample_conditions_2 |
Software:
TopSpin, Bruker Biospin - chemical shift assignment, collection, data analysis, processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
NAMD, University of Illinois at Urbana Champaign: Theoretical and Computational Biophysics Group (TCB), Parallel Programming Laboratory (PPL) - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz
- Bruker AVANCE NEO 600 MHz