BMRB Entry 52870

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52870

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
1H,13C and 15N chemical shift assignments of Rubella virus macro domain in the ADPr bound state
Deposition date:
2025-01-20
Original release date:
2025-04-14
Authors:
Moschidi, Danai; Fourkiotis, Nikolaos; Tsika, Aikaterini; Sideras-Bisdekis, Christos; Spyroulias, Georgios
Citation:

Citation: Moschidi, Danai; Fourkiotis, Nikolaos; Sideras-Bisdekis, Christos; Tsika, Aikaterini; Spyroulias, Georgios. "1H, 13C and 15N chemical shift assignments of Rubella virus macro domain in the free and in the ADPr bound state"  Biomol. NMR Assignments ., .-. (2025).
PubMed: 40186845

Assembly members:

Assembly members:
entity_1, polymer, 189 residues, Formula weight is not available
entity_APR, non-polymer, 559.316 Da.

Natural source:

Natural source:   Common Name: Rubivirus rubellae   Taxonomy ID: 2846071   Superkingdom: Viruses   Kingdom: not available   Genus/species: Rubivirus rubellae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSDIVESYARAAGPVHLRVR DIMDPPPGCKVVVNAANEGL LAGSGVCGAIFANATAALAA DCRRLAPCPTGEAVATPGHG CGYTHIIHAVAPRRPRDPAA LEEGEALLERAYRSIVALAA ARRWACVACPLLGAGVYGWS AAESLRAALAATRAEPAERV SLHICHPDRATLTHASVLVG ALEHHHHHH

Data sets:
Data typeCount
13C chemical shifts654
15N chemical shifts146
1H chemical shifts1008

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Rubella virus macro domain ADPr bound1
2APR2

Entities:

Entity 1, Rubella virus macro domain ADPr bound 189 residues - Formula weight is not available

The first Met is an artificial amino acid as well the Leu-Glu amino acids before the His6-tag in the C-terminal region. The rest sequence is following the numbering of the Uniprot accession number Q99IE5 for the macro domain starting with Ser806 and ending to Ala985.

1   METSERASPILEVALGLUSERTYRALAARG
2   ALAALAGLYPROVALHISLEUARGVALARG
3   ASPILEMETASPPROPROPROGLYCYSLYS
4   VALVALVALASNALAALAASNGLUGLYLEU
5   LEUALAGLYSERGLYVALCYSGLYALAILE
6   PHEALAASNALATHRALAALALEUALAALA
7   ASPCYSARGARGLEUALAPROCYSPROTHR
8   GLYGLUALAVALALATHRPROGLYHISGLY
9   CYSGLYTYRTHRHISILEILEHISALAVAL
10   ALAPROARGARGPROARGASPPROALAALA
11   LEUGLUGLUGLYGLUALALEULEUGLUARG
12   ALATYRARGSERILEVALALALEUALAALA
13   ALAARGARGTRPALACYSVALALACYSPRO
14   LEULEUGLYALAGLYVALTYRGLYTRPSER
15   ALAALAGLUSERLEUARGALAALALEUALA
16   ALATHRARGALAGLUPROALAGLUARGVAL
17   SERLEUHISILECYSHISPROASPARGALA
18   THRLEUTHRHISALASERVALLEUVALGLY
19   ALALEUGLUHISHISHISHISHISHIS

Entity 2, APR - C15 H23 N5 O14 P2 - 559.316 Da.

1   APR

Samples:

sample_1: Rubella virus macro domain ADPr bound, [U-99% 15N], 0.45 mM; sodium phosphate 50 mM; sodium chloride 50 mM; EDTA 2 mM; DTT 2 mM

sample_2: Rubella virus macro domain ADPr bound, [U-99% 13C; U-99% 15N], 0.62 mM; sodium phosphate 50 mM; sodium chloride 50 mM; EDTA 2 mM; DTT 2 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7.6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D CBCANHsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1

Software:

TOPSPIN v3.7.0 - collection, processing

CARA v1.9.1.7 - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker AVANCE HD-III HD 700 MHz

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