BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30795

Title: SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR

Deposition date: 2020-09-11 Original release date: 2020-09-28

Authors: Mandala, V.; Hong, M.; McKay, M.; Shcherbakov, A.; Dregni, A.

Citation: Mandala, V.; Hong, M.; McKay, M.; Shcherbakov, A.; Dregni, A.. "Structure and Drug Binding of the SARS-CoV-2 Envelope Protein in Phospholipid Bilayers"  . ., .-..

Assembly members:
entity_1, polymer, 31 residues, 3362.115 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 BL21(DE3)

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