BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 26657

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26657

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Title: Resonance Assignment of MERS-CoV macro domain   PubMed: 26993639

Deposition date: 2015-09-15 Original release date: 2016-09-09

Authors: Huang, Yi-Ping; Cho, Chao-Cheng; Hsu, Chun-Hua

Citation: Huang, Yi-Ping; Cho, Chao-Cheng; Chang, Chi-Fon; Hsu, Chun-Hua. "NMR assignments of the macro domain from Middle East respiratory syndrome coronavirus (MERS-CoV)"  Biomol. NMR Assign. 10, 245-248 (2016).

Assembly members:
MERS-CoV_macro_domain, polymer, 168 residues, Formula weight is not available

Natural source:   Common Name: viruses   Taxonomy ID: 694002   Superkingdom: viruses   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
MERS-CoV_macro_domain: GSHMPLSNFEHKVITECVTI VLGDAIQVAKCYGESVLVNA ANTHLKHGGGIAGAINAASK GAVQKESDEYILAKGPLQVG DSVLLQGHSLAKNILHVVGP DARAKQDVSLLSKCYKAMNA YPLVVTPLVSAGIFGVKPAV SFDYLIREAKTRVLVVVNSQ DVYKSLTI

Data sets:
Data typeCount
13C chemical shifts578
15N chemical shifts158
1H chemical shifts904

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MERS-CoV macro domain, 11
2MERS-CoV macro domain, 21

Entities:

Entity 1, MERS-CoV macro domain, 1 168 residues - Formula weight is not available

Residues -3-0 represent extra residues

1   GLYSERHISMETPROLEUSERASNPHEGLU
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   ASPVALTYRLYSSERLEUTHRILE

Samples:

sample_1: MERS-CoV macro domain, [U-99% 13C; U-99% 15N], 0.1 mM; H2O 90%; D2O 10%; sodium phosphate 20 mM; NaCl100 – 150 mM

sample_2: MERS-CoV macro domain, [U-99% 13C; U-99% 15N], 0.1 mM; D2O 100%

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts