BMRB Entry 50396

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50396

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Title:
MERS-CoV macro domain with ADP at 298K and 308K
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).
PubMed: 33504944

Assembly members:

Assembly members:
entity_1, polymer, 168 residues, Formula weight is not available
entity_ADP, non-polymer, 427.201 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: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMPLSNFEHKVITECVTI VLGDAIQVAKCYGESVLVNA ANTHLKHGGGIAGAINAASK GAVQKESDEYILAKGPLQVG DSVLLQGHSLAKNILHVVGP DARAKQDVSLLSKCYKAMNA YPLVVTPLVSAGIFGVKPAV SFDYLIREAKTRVLVVVNSQ DVYKSLTI

Data sets:
Data typeCount
15N chemical shifts291
1H chemical shifts291

Additional metadata:

  • Assembly
  • Samples and Experiments
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  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1MERS-CoV macro domain1
2ADP2

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, ADP - C10 H15 N5 O10 P2 - 427.201 Da.

1   ADP

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