BMRB Entry 50993

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50993

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Title:
SARS-CoV macro domain in the free state
Deposition date:
2021-06-22
Original release date:
2021-11-03
Authors:
Gallo, Angelo; Charalampous, Periklis; Tsika, Aikaterini; Fourkiotis, Nikolaos; Spyroulias, Georgios
Citation:

Citation: Tsika, Aikaterini; Fourkiotis, Nikolaos; Charalampous, Periklis; Gallo, Angelo; Spyroulias, Georgios. "NMR study of macro domains (MDs) from betacoronavirus: backbone resonance assignments of SARS-CoV and MERS-CoV MDs in the free and the ADPr-bound state"  Biomol. NMR Assignments 16, 9-16 (2022).
PubMed: 34686999

Assembly members:

Assembly members:
entity_1, polymer, 179 residues, 19315.19 Da.

Natural source:

Natural source:   Common Name: SARS   Taxonomy ID: 694009   Superkingdom: Viruses   Kingdom: not available   Genus/species: Betacoronavirus HCoV-SARS

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET20b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MHHHHHHEPVNQFTGYLKLT DNVAIKCVDIVKEAQSANPM VIVNAANIHLKHGGGVAGAL NKATNGAMQKESDDYIKLNG PLTVGGSCLLSGHNLAKKCL HVVGPNLNAGEDIQLLKAAY ENFNSQDILLAPLLSAGIFG AKPLQSLQVCVQTVRTQVYI AVNDKALYEQVVMDYLDNL

Data sets:
Data typeCount
13C chemical shifts496
15N chemical shifts161
1H chemical shifts161

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SARS MD1

Entities:

Entity 1, SARS MD 179 residues - 19315.19 Da.

The str file includes the HIS-tag so the native sequence starts at E8. The number correspond in the gene is E183 (native sequence start).

1   METHISHISHISHISHISHISGLUPROVAL
2   ASNGLNPHETHRGLYTYRLEULYSLEUTHR
3   ASPASNVALALAILELYSCYSVALASPILE
4   VALLYSGLUALAGLNSERALAASNPROMET
5   VALILEVALASNALAALAASNILEHISLEU
6   LYSHISGLYGLYGLYVALALAGLYALALEU
7   ASNLYSALATHRASNGLYALAMETGLNLYS
8   GLUSERASPASPTYRILELYSLEUASNGLY
9   PROLEUTHRVALGLYGLYSERCYSLEULEU
10   SERGLYHISASNLEUALALYSLYSCYSLEU
11   HISVALVALGLYPROASNLEUASNALAGLY
12   GLUASPILEGLNLEULEULYSALAALATYR
13   GLUASNPHEASNSERGLNASPILELEULEU
14   ALAPROLEULEUSERALAGLYILEPHEGLY
15   ALALYSPROLEUGLNSERLEUGLNVALCYS
16   VALGLNTHRVALARGTHRGLNVALTYRILE
17   ALAVALASNASPLYSALALEUTYRGLUGLN
18   VALVALMETASPTYRLEUASPASNLEU

Samples:

sample_1: SARS-CoV macro domain, [U-100% 13C; U-100% 15N], 0.6 mM; DSS 0.25 mM; HEPES 10 mM; DTT 2 mM; EDTA 2 mM; sodium chloride 20 mM; D2O 10%; H2O 90%; sodium azide 2 mM; bacterial inhibitor cocktail (Sigma Aldrich) 1%

sample_conditions_1: ionic strength: 30 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCACONHsample_1isotropicsample_conditions_1
3D CBCANHsample_1isotropicsample_conditions_1

Software:

TOPSPIN vTOPSPIN 4.1.1 - collection, processing

CARA v1.9.1.7 - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

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