BMRB Entry 27539

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27539

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Title:
Influenza A virus non-structural protein 1 (NS1) effector domain
Deposition date:
2018-07-11
Original release date:
2018-11-15
Authors:
Kleinpeter, Alex; Petit, Chad
Citation:

Citation: Kleinpeter, Alex; Jureka, Alex; Fallahat, Sally; Green, Todd; Petit, Chad. "Structural analyses reveal the mechanism of inhibition of influenza virus NS1 by two antiviral compounds"  J. Biol. Chem. 293, 14659-14668 (2018).
PubMed: 30076219

Assembly members:

Assembly members:
NS1_Effector_Domain, polymer, 120 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Influenza A virus   Taxonomy ID: 11320   Superkingdom: Viruses   Kingdom: not available   Genus/species: Alphainfluenzavirus Influenza A virus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-SUMO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NS1_Effector_Domain: ASRYLTDMTLEEMSRDWFML MPKQKVAGSLCIRMDQAIMD KNIILKANFSVIFDRLETLI LLRAFTEEGAIVGEISPLPS LPGHTDEDVKNAVGVLIGGL EANDNTVRVSETLQRFAWRS

Data sets:
Data typeCount
13C chemical shifts185
15N chemical shifts99
1H chemical shifts99

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1NS1 Effector Domain1

Entities:

Entity 1, NS1 Effector Domain 120 residues - Formula weight is not available

Construct consists of residues 86-205. The sequence provided begins and ends at these positions.

1   ALASERARGTYRLEUTHRASPMETTHRLEU
2   GLUGLUMETSERARGASPTRPPHEMETLEU
3   METPROLYSGLNLYSVALALAGLYSERLEU
4   CYSILEARGMETASPGLNALAILEMETASP
5   LYSASNILEILELEULYSALAASNPHESER
6   VALILEPHEASPARGLEUGLUTHRLEUILE
7   LEULEUARGALAPHETHRGLUGLUGLYALA
8   ILEVALGLYGLUILESERPROLEUPROSER
9   LEUPROGLYHISTHRASPGLUASPVALLYS
10   ASNALAVALGLYVALLEUILEGLYGLYLEU
11   GLUALAASNASPASNTHRVALARGVALSER
12   GLUTHRLEUGLNARGPHEALATRPARGSER

Samples:

sample_1: NS1 Effector Domain, [U-99% 13C; U-99% 15N], 0.6 mM; NaCl 100 mM; NaPO4 20 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 850 MHz

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