BMRB Entry 50970

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50970

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Title:
MERS-CoV macro domain free state
Deposition date:
2021-06-11
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, 183 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: MERS-CoV   Taxonomy ID: 1335626   Superkingdom: Viruses   Kingdom: not available   Genus/species: Betacoronavirus MERS-CoV

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: E. cloni(r) EXPRESS BL21(DE3) (Lucigen)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNVDPLSNFEHKVITECVTI VLGDAIQVAKCYGESVLVNA ANTHLKHGGGIAGAINAASK GAVQKESDEYILAKGPLQVG DSVLLQGHSLAKNILHVVGP DARAKQDVSLLSKCYKAMNA YPLVVTPLVSAGIFGVKPAV SFDYLIREAKTRVLVVVNSQ DVYKSLTIVDIPQLELEHHH HHH

Data sets:
Data typeCount
13C chemical shifts511
15N chemical shifts169
1H chemical shifts169

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1MERS-CoV1

Entities:

Entity 1, MERS-CoV 183 residues - Formula weight is not available

The native sequence start with N2 and the native sequence start with N254. We have His-tag the sequence LELEHHHHHH does not belong to the native sequence.

1   METASNVALASPPROLEUSERASNPHEGLU
2   HISLYSVALILETHRGLUCYSVALTHRILE
3   VALLEUGLYASPALAILEGLNVALALALYS
4   CYSTYRGLYGLUSERVALLEUVALASNALA
5   ALAASNTHRHISLEULYSHISGLYGLYGLY
6   ILEALAGLYALAILEASNALAALASERLYS
7   GLYALAVALGLNLYSGLUSERASPGLUTYR
8   ILELEUALALYSGLYPROLEUGLNVALGLY
9   ASPSERVALLEULEUGLNGLYHISSERLEU
10   ALALYSASNILELEUHISVALVALGLYPRO
11   ASPALAARGALALYSGLNASPVALSERLEU
12   LEUSERLYSCYSTYRLYSALAMETASNALA
13   TYRPROLEUVALVALTHRPROLEUVALSER
14   ALAGLYILEPHEGLYVALLYSPROALAVAL
15   SERPHEASPTYRLEUILEARGGLUALALYS
16   THRARGVALLEUVALVALVALASNSERGLN
17   ASPVALTYRLYSSERLEUTHRILEVALASP
18   ILEPROGLNLEUGLULEUGLUHISHISHIS
19   HISHISHIS

Samples:

sample_1: MERS-CoV MD free, [U-100% 13C; U-100% 15N], 0.8 mM; D2O, [U-2H], 10%; H2O 90%; DSS 0.25 mM; DTT 2 mM; EDTA 2 mM; sodium chloride 20 mM; HEPES 10 mM; sodium azide 2 mM; bacterial inhibitor cocktail (Sigma Aldrich) 1%

sample_conditions_1: ionic strength: 30 mM; pH: 7.0; 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 v4.1.1 - 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