BMRB Entry 51193

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51193

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Title:
Backbone resonance assignments of transmembrane domain of SARS-CoV-2 spike protein
Deposition date:
2021-11-25
Original release date:
2022-03-10
Authors:
Huang, Qiwei; Li, Qingxin; Kang, Congbao
Citation:

Citation: Li, Qingxin; Huang, Qiwei; Kang, Congbao. "Secondary Structures of the Transmembrane Domain of SARS-CoV-2 Spike Protein in Detergent Micelles"  Int. J. Mol. Sci. 23, 1040-1040 (2022).
PubMed: 35162961

Assembly members:

Assembly members:
entity_1, polymer, 60 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH MQELGKYEQYIKWPWYIWLG FIAGLIAIVMVTIMLSSMTS

Data sets:
Data typeCount
13C chemical shifts113
15N chemical shifts38
1H chemical shifts109

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S-TM1

Entities:

Entity 1, S-TM 60 residues - Formula weight is not available

MGSSHHHHHHSSGLVPRGSHM are fusion tag. QEL.. (1201, 1202, 1203).

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METGLNGLULEUGLYLYSTYRGLUGLNTYR
4   ILELYSTRPPROTRPTYRILETRPLEUGLY
5   PHEILEALAGLYLEUILEALAILEVALMET
6   VALTHRILEMETLEUSERSERMETTHRSER

Samples:

sample_1: S-TM, [U-100% 13C; U-100% 15N], 0.8 ± 0.2 mM; sodium phosphate 20 mM; DPC 150 mM; DTT 1 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 6.5; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHANHsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

NMRView - chemical shift assignment

CYANA - structure solution

NMR spectrometers:

  • Bruker Avance 700 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