BMRB Entry 50969

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50969

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Title:
SARS-CoV macro domain ADPr bound
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, 179 residues, Formula weight is not available
entity_APR, non-polymer, 559.316 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: E. cloni(r) EXPRESS BL21(DE3) (Lucigen)

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts449
15N chemical shifts147
1H chemical shifts147

Additional metadata:

  • Assembly
  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1SARS MD1
2Ligand2

Entities:

Entity 1, SARS MD 179 residues - Formula weight is not available

HIS-tag included, native sequence start at E8.

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

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

1   APR

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