BMRB Entry 31085
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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/BMR31085
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Medeiros-Silva, J.; Dregni, A.; Somberg, A.; Hong, M.. "Atomic Structure of the SARS-CoV-2 Envelope Protein at Acidic pH in the Presence of Calcium" To be published ., .-..
Assembly members:
entity_1, polymer, 31 residues, 3362.115 Da.
Natural source: Common Name: 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) Vector: Champion pET-SUMO
Entity Sequences (FASTA):
entity_1: ETGTLIVNSVLLFLAFVVFL
LVTLAILTALR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 146 |
| 15N chemical shifts | 34 |
| 1H chemical shifts | 32 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
| 3 | unit_3 | 1 |
| 4 | unit_4 | 1 |
| 5 | unit_5 | 1 |
Entities:
Entity 1, unit_1 31 residues - 3362.115 Da.
| 1 | GLU | THR | GLY | THR | LEU | ILE | VAL | ASN | SER | VAL | ||||
| 2 | LEU | LEU | PHE | LEU | ALA | PHE | VAL | VAL | PHE | LEU | ||||
| 3 | LEU | VAL | THR | LEU | ALA | ILE | LEU | THR | ALA | LEU | ||||
| 4 | ARG |
Samples:
sample_1: ETM, [U-99% 13C; U-99% 15N], 15.5 % w/w; POPC 23 % w/w; POPS 3.5 % w/w; POPE 10 % w/w; PI 8 % w/w; Cholesterol 4 % w/w; Water 36 % w/w; sodium acetate 30 mM; calcium chloride 30 mM; sodium chloride 10 mM
sample_2: ETM, [U-99% 15N; U-80% 2H], 7.5 % w/w; POPC 23 % w/w; POPS 3.5 % w/w; POPE 10 % w/w; PI 8 % w/w; Cholesterol 4 % w/w; Water 36 % w/w; sodium acetate 30 mM; calcium chloride 30 mM; sodium chloride 10 mM; ETM domain, [U-100% 13C], 8 % w/w
sample_3: ETM, [U-100% 13C; U-100% 15N; U-80% 2H], 7.5 % w/w; POPC 23 % w/w; POPS 11 % w/w; POPE 10 % w/w; Cholesterol 4.5 % w/w; Water 36 % w/w; sodium acetate 30 mM; calcium chloride 30 mM; sodium chloride 10 mM; 4-19F-Phe20-ETM 8 % w/w
sample_4: ETM, [U-99% 13C; U-99% 15N], 4.5 % w/w; Water 39 % w/w; sodium acetate 30 mM; calcium chloride 30 mM; sodium chloride 10 mM; 4-19F-Phe20-ETM 4 % w/w; DMPC 36.5 % w/w; DMPG 16 % w/w
sample_5: ETM, [U-99% 13C; U-99% 15N], 8.5 % w/w; POPC 35 % w/w; Water 59 % w/w; sodium acetate 30 mM; calcium chloride 30 mM; sodium chloride 10 mM; POPG 15.5 % w/w
sample_conditions_1: ionic strength: 1 M; pH: 4.5; pressure: 1 atm; temperature: 283 K
sample_conditions_2: ionic strength: 1 M; pH: 4.5; pressure: 1 atm; temperature: 273 K
sample_conditions_3: ionic strength: 1 M; pH: 4.5; pressure: 1 atm; temperature: 331 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 15N-13C | sample_1 | isotropic | sample_conditions_1 |
| 2D 13C-detected CORD | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N CP HETCOR | sample_1 | isotropic | sample_conditions_1 |
| 2D 15N-13C PSD | sample_2 | isotropic | sample_conditions_2 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 1D 19F 13C-detected REDOR | sample_3 | isotropic | sample_conditions_1 |
| 2D 19F 1H-15N 1H-detected CP HETCOR | sample_4 | isotropic | sample_conditions_1 |
| 3D NCa-filtered 13C-detected DIPSHIFT | sample_5 | isotropic | sample_conditions_3 |
Software:
TopSpin, Bruker Biospin - collection, data analysis
CcpNmr Analysis, CCPN - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE II 900 MHz
- Bruker AVANCE III 800 MHz
- Bruker AVANCE NEO 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks