BMRB Entry 50394

Title:
MERS-CoV macro domain with NAD at 298K and 308K   PubMed: 33504944
Deposition date:
2020-07-16
Original release date:
2021-04-13
Authors:
Lin, Meng-Hsuan; Hsu, Chun-Hua
Citation:

Citation: Lin, Meng-Hsuan; Cho, Chao-Cheng; Chiu, Yi-Chih; Chien, Chia-Yu; Huang, Yi-Ping; Chang, Chi-Fon; Hsu, Chun-Hua. "Elucidating the tunability of binding behavior for the MERS-CoV macro domain with NAD metabolites"  Commun. Biol. 4, 123-123 (2021).

Assembly members:

Assembly members:
entity_1, polymer, 168 residues, Formula weight is not available
entity_NAD, non-polymer, 663.425 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:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Experimental source:

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

Data sets:
Data typeCount
15N chemical shifts292
1H chemical shifts292

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MERS-CoV macro domain1
2NAD2

Entities:

Entity 1, MERS-CoV macro domain 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

Entity 2, NAD - C21 H27 N7 O14 P2 - 663.425 Da.

1   NAD

Samples:

sample_1: MERS-CoV macro domain, [U-99% 13C; U-99% 15N], 0.1 mM; H2O 90%; D2O 10%; sodium phosphate 20 mM; NaCl 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: 298 K

sample_conditions_2: ionic strength: 150 M; pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_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 peaks
SPARKY: Backbone or all simulated peaks