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Biological Magnetic Resonance Data Bank


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BMRB Entry 50422

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50422

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Title: Resonance assignment of SARS-CoV-2 macro domain   PubMed: 33486617

Deposition date: 2020-08-04 Original release date: 2021-04-13

Authors: Lin, Meng-Hsuan; Huang, Yi-Ping; Chang, Chi-Fon; Hsu, Chun-Hua

Citation: Lin, Meng-Hsuan; Huang, Yi-Ping; Chang, Chi-Fon; Hsu, Chun-Hua. "NMR assignments of the macro domain from severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)"  Biomol. NMR Assignments 15, 137-142 (2021).

Assembly members:
entity_1, polymer, 175 residues, Formula weight is not available

Natural source:   Common Name: SARS-CoV-2   Taxonomy ID: 2697049   Superkingdom: Viruses   Kingdom: not available   Genus/species: Betacoronavirus HCoV-SARS

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Entity Sequences (FASTA):
entity_1: GSHMVNSFSGYLKLTDNVYI KNADIVEEAKKVKPTVVVNA ANVYLKHGGGVAGALNKATN NAMQVESDDYIATNGPLKVG GSCVLSGHNLAKHCLHVVGP NVNKGEDIQLLKSAYENFNQ HEVLLAPLLSAGIFGADPIH SLRVCVDTVRTNVYLAVFDK NLYDKLVSSFLEMKS

Data sets:
Data typeCount
13C chemical shifts678
15N chemical shifts168
1H chemical shifts1049

Additional metadata:

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

Assembly:

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

Entities:

Entity 1, SARS-CoV-2 macro domain, 1 175 residues - Formula weight is not available

Residues -3-0 represent extra residues

1   GLYSERHISMETVALASNSERPHESERGLY
2   TYRLEULYSLEUTHRASPASNVALTYRILE
3   LYSASNALAASPILEVALGLUGLUALALYS
4   LYSVALLYSPROTHRVALVALVALASNALA
5   ALAASNVALTYRLEULYSHISGLYGLYGLY
6   VALALAGLYALALEUASNLYSALATHRASN
7   ASNALAMETGLNVALGLUSERASPASPTYR
8   ILEALATHRASNGLYPROLEULYSVALGLY
9   GLYSERCYSVALLEUSERGLYHISASNLEU
10   ALALYSHISCYSLEUHISVALVALGLYPRO
11   ASNVALASNLYSGLYGLUASPILEGLNLEU
12   LEULYSSERALATYRGLUASNPHEASNGLN
13   HISGLUVALLEULEUALAPROLEULEUSER
14   ALAGLYILEPHEGLYALAASPPROILEHIS
15   SERLEUARGVALCYSVALASPTHRVALARG
16   THRASNVALTYRLEUALAVALPHEASPLYS
17   ASNLEUTYRASPLYSLEUVALSERSERPHE
18   LEUGLUMETLYSSER

Samples:

sample_1: SARS-CoV-2 macro domain, [U-99% 13C; U-99% 15N], 0.1 mM; H2O 90%; D2O 10%; sodium phosphate 20 mM; NaCl 100 mM

sample_2: SARS-CoV-2 macro domain, [U-99% 13C; U-99% 15N], 0.1 mM; D2O 100%

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 298 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 - collection, processing

SPARKY - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

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