BMRB Entry 50813

Title:
Interactions of SARS-CoV-2 envelope protein with amilorides correlate with antiviral activity
Deposition date:
2021-03-09
Original release date:
2021-05-05
Authors:
Park, Sang Ho; Siddiqi, Haley; Castro, Daniela; Opella, Stanley
Citation:

Citation: Park, Sang Ho; Siddiqi, Haley; Castro, Daniela; De Angelis, Anna; Oom, Aaron; Stoneham, Charlotte; Lewinski, Mary; Clark, Alex; Croker, Ben; Carlin, Aaron; Guatelli, John; Opella, Stanley. "Interactions of SARS-CoV-2 envelope protein with amilorides correlate with antiviral activity."  PLoS Pathog. 17, e1009519-e1009519 (2021).
PubMed: 34003853

Assembly members:

Assembly members:
entity_1, polymer, 75 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: SARS-CoV-2   Taxonomy ID: 2697049   Superkingdom: Viruses   Kingdom: not available   Genus/species: Betacoronavirus HCoV-SARS

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-31b(+)

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts144
15N chemical shifts72
1H chemical shifts72

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SARS-CoV-2 envelope protein1

Entities:

Entity 1, SARS-CoV-2 envelope protein 75 residues - Formula weight is not available

1   METTYRSERPHEVALSERGLUGLUTHRGLY
2   THRLEUILEVALASNSERVALLEULEUPHE
3   LEUALAPHEVALVALPHELEULEUVALTHR
4   LEUALAILELEUTHRALALEUARGLEUCYS
5   ALATYRCYSCYSASNILEVALASNVALSER
6   LEUVALLYSPROTHRVALTYRVALTYRSER
7   ARGVALLYSASNLEUASNSERSERARGVAL
8   PROASPLEULEUVAL

Samples:

sample_1: SARS-CoV-2 envelope protein, [U-99% 15N], 0.2-0.5 mM; HEPES 20 mM; NaCl 50 mM; TCEP 10 mM; DSS 1 mM; Hexadecylphosphocholine 2-5%

sample_2: SARS-CoV-2 envelope protein, [U-15N]-Leu, 0.5 mM; HEPES 20 mM; NaCl 50 mM; TCEP 10 mM; DSS 1 mM; Hexadecylphosphocholine 5%

sample_3: SARS-CoV-2 envelope protein, [U-15N]-Val, 0.5 mM; HEPES 20 mM; NaCl 50 mM; TCEP 10 mM; DSS 1 mM; Hexadecylphosphocholine 5%

sample_4: SARS-CoV-2 envelope protein, [U-99% 15N], 0.2-0.5 mM; HEPES 20 mM; NaCl 50 mM; TCEP 10 mM; DSS 1 mM; Hexadecylphosphocholine 2-5%

sample_5: SARS-CoV-2 envelope protein, [U-99% 13C; U-99% 15N], 1.0 mM; HEPES 20 mM; NaCl 50 mM; TCEP 10 mM; DSS 1 mM; Hexadecylphosphocholine 7%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 323 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
1H-15N heteronoesample_1isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1
3D HN(CO)CAsample_3isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HN(CA)COsample_3isotropicsample_conditions_1
2D HSQCNOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN - data analysis, peak picking, processing

NMRPipe - processing

NMRViewJ - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks