BMRB Entry 30795

Title:
SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR   PubMed: 33177698
Deposition date:
2020-09-11
Original release date:
2020-09-28
Authors:
Mandala, V.; Hong, M.; McKay, M.; Shcherbakov, A.; Dregni, A.
Citation:

Citation: Mandala, Venkata; McKay, Matthew; Shcherbakov, Alexander; Dregni, Aurelio; Kolocouris, Antonios; Hong, Mei. "Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers"  Nat. Struct. Mol. Biol. 27, 1202-1208 (2020).

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 3362.115 Da.

Natural source:

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 BL21(DE3)

Experimental source:

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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ETGTLIVNSVLLFLAFVVFL LVTLAILTALR

Data sets:
Data typeCount
13C chemical shifts133
15N chemical shifts28

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_21
3unit_31
4unit_41
5unit_51

Entities:

Entity 1, unit_1 31 residues - 3362.115 Da.

1   GLUTHRGLYTHRLEUILEVALASNSERVAL
2   LEULEUPHELEUALAPHEVALVALPHELEU
3   LEUVALTHRLEUALAILELEUTHRALALEU
4   ARG

Samples:

sample_1: SARS-CoV-2 Envelope Protein Transmembrane Domain, [U-13C; U-15N], 0.1 mg/uL; POPC 0.23 mg/uL; POPE 0.1 mg/uL; bovine PI 0.08 mg/uL; POPS 0.04 mg/uL; Cholesterol 0.04 mg/uL

sample_2: SARS-CoV-2 Envelope Protein Transmembrane Domain, [U-13C; U-15N], 0.1 mg/uL; POPC 0.23 mg/uL; POPE 0.1 mg/uL; bovine PI 0.08 mg/uL; POPS 0.04 mg/uL; Cholesterol 0.04 mg/uL; fluoro SARS-CoV-2 Envelope Protein Transmembrane Domain, [4-19F-Phe], 0.1 mg/uL

sample_3: POPC 0.23 mg/uL; POPE 0.1 mg/uL; bovine PI 0.08 mg/uL; POPS 0.04 mg/uL; Cholesterol 0.04 mg/uL; 15N SARS-CoV-2 Envelope Protein Transmembrane Domain, [U-15N], 0.1 mg/uL; 13C SARS-CoV-2 Envelope Protein Transmembrane Domain, [U-13C], 0.1 mg/uL

sample_conditions_1: ionic strength: 20 mM; pH: 7.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D CC CORDsample_1anisotropicsample_conditions_1
2D NCA/NCO SPEC-CPsample_1anisotropicsample_conditions_1
3D NCACX/NCOCX/CONCAsample_1anisotropicsample_conditions_1
1D/2D 13C-19F REDORsample_2anisotropicsample_conditions_1
2D 13C-19F SPEC-CPsample_2anisotropicsample_conditions_1
2D NHHCsample_3anisotropicsample_conditions_1

Software:

NMRFAM-SPARKY, NMRFAM - chemical shift assignment

TopSpin, Bruker Biospin - processing

X-PLOR NIH v2.47, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE NEO 900 MHz
  • Bruker AVANCE II 800 MHz
  • Bruker AVANCE III HD 60 MHz