BMRB Entry 51074

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51074

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Title:
Backbone and Ile, Leu, Val methyl groups resonances assignment of Cov-Y domain of SARS-CoV-2 non-structural protein 3
Deposition date:
2021-09-02
Original release date:
2021-11-21
Authors:
Pustovalova, Yulia; Hoch, Jeffrey
Citation:

Citation: Pustovalova, Yulia; Gorbatyuk, Oksana; Li, Yunfeng; Hao, Bing; Hoch, Jeffrey. "Backbone and Ile, Leu, Val methyl group resonance assignment of CoV-Y domain of SARS-CoV-2 non-structural protein 3"  Biomol. NMR Assign. 16, 57-62 (2021).
PubMed: 34792756

Assembly members:

Assembly members:
entity_1, polymer, 286 residues, 31513 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KRPINPTDQSSYIVDSVTVK NGSIHLYFDKAGQKTYERHS LSHFVNLDNLRANNTKGSLP INVIVFDGKSKCEESSAKSA SVYYSQLMCQPILLLDQALV SDVGDSAEVAVKMFDAYVNT FSSTFNVPMEKLKTLVATAE AELAKNVSLDNVLSTFISAA RQGFVDSDVETKDVVECLKL SHQSDIEVTGDSCNNYMLTY NKVENMTPRDLGACIDCSAR HINAQVAKSHNIALIWNVKD FMSLSEQLRKQIRSAAKKNN LPFKLTCATTRQVVNVVTTK IALKGG

Data sets:
Data typeCount
13C chemical shifts966
15N chemical shifts271
1H chemical shifts604

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1nsp3-CovY1

Entities:

Entity 1, nsp3-CovY 286 residues - 31513 Da.

Cov-Y domain corresponds to residues 1660-1945 of SARS-Cov-2 nsp3.

1   LYSARGPROILEASNPROTHRASPGLNSER
2   SERTYRILEVALASPSERVALTHRVALLYS
3   ASNGLYSERILEHISLEUTYRPHEASPLYS
4   ALAGLYGLNLYSTHRTYRGLUARGHISSER
5   LEUSERHISPHEVALASNLEUASPASNLEU
6   ARGALAASNASNTHRLYSGLYSERLEUPRO
7   ILEASNVALILEVALPHEASPGLYLYSSER
8   LYSCYSGLUGLUSERSERALALYSSERALA
9   SERVALTYRTYRSERGLNLEUMETCYSGLN
10   PROILELEULEULEUASPGLNALALEUVAL
11   SERASPVALGLYASPSERALAGLUVALALA
12   VALLYSMETPHEASPALATYRVALASNTHR
13   PHESERSERTHRPHEASNVALPROMETGLU
14   LYSLEULYSTHRLEUVALALATHRALAGLU
15   ALAGLULEUALALYSASNVALSERLEUASP
16   ASNVALLEUSERTHRPHEILESERALAALA
17   ARGGLNGLYPHEVALASPSERASPVALGLU
18   THRLYSASPVALVALGLUCYSLEULYSLEU
19   SERHISGLNSERASPILEGLUVALTHRGLY
20   ASPSERCYSASNASNTYRMETLEUTHRTYR
21   ASNLYSVALGLUASNMETTHRPROARGASP
22   LEUGLYALACYSILEASPCYSSERALAARG
23   HISILEASNALAGLNVALALALYSSERHIS
24   ASNILEALALEUILETRPASNVALLYSASP
25   PHEMETSERLEUSERGLUGLNLEUARGLYS
26   GLNILEARGSERALAALALYSLYSASNASN
27   LEUPROPHELYSLEUTHRCYSALATHRTHR
28   ARGGLNVALVALASNVALVALTHRTHRLYS
29   ILEALALEULYSGLYGLY

Samples:

sample_1: nsp3-CovY, [U-100% 13C; U-100% 15N; U-80% 2H], 0.35 mM; MOPS 20 mM; lithium bromide 100 mM; DTT 2 mM; sodium azide 0.01%

sample_2: nsp3-CovY, [U-15N; U-2H; 99% 13C,1HD-Ile,Leu; 99% 13C,1HG-Val], 0.25 mM; MOPS 20 mM; lithium bromide 100 mM; DTT 2 mM; sodium azide 0.01%

sample_conditions_1: ionic strength: 120 mM; pH: 6.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HMCMCGCBCAsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

CARA - data analysis

CcpNMR - data analysis

NMR spectrometers:

  • Varian INOVA 800 MHz

Related Database Links:

NCBI YP_009742610.1

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