BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 26986

Title: 1H, 13C and 15N Chemical shift assignments of yeast thioredoxin Saccharomyces cerevisiae in the oxidized state by solution NMR spectroscopy.   PubMed: 28808882

Deposition date: 2016-12-29 Original release date: 2017-08-18

Authors: Iqbal, Anwar; Valente, Ana Paula; Almeida, Fabio

Citation: Iqbal, Anwar; Almeida, Fabio. "1H, 13C and 15N chemical shift assignments of Saccharomyces cerevisiae type 1 thioredoxin in the oxidized state by solution NMR spectroscopy"  Biomol. NMR Assign. 11, 221-224 (2017).

Assembly members:
oxidized_yeast_thioredoxin_1, polymer, 103 residues, 11234.98 Da.

Natural source:   Common Name: baker's yeast   Taxonomy ID: 4932   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Saccharomyces cerevisiae

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET 3a

Entity Sequences (FASTA):
oxidized_yeast_thioredoxin_1: MVTQFKTASEFDSAIAQDKL VVVDFYATWCGPCKMIAPMI EKFSEQYPQADFYKLDVDEL GDVAQKNEVSAMPTLLLFKN GKEVAKVVGANPAAIKQAIA ANA

Data sets:
Data typeCount
13C chemical shifts446
15N chemical shifts104
1H chemical shifts718

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1yTrx11

Entities:

Entity 1, yTrx1 103 residues - 11234.98 Da.

Full length

1   METVALTHRGLNPHELYSTHRALASERGLU
2   PHEASPSERALAILEALAGLNASPLYSLEU
3   VALVALVALASPPHETYRALATHRTRPCYS
4   GLYPROCYSLYSMETILEALAPROMETILE
5   GLULYSPHESERGLUGLNTYRPROGLNALA
6   ASPPHETYRLYSLEUASPVALASPGLULEU
7   GLYASPVALALAGLNLYSASNGLUVALSER
8   ALAMETPROTHRLEULEULEUPHELYSASN
9   GLYLYSGLUVALALALYSVALVALGLYALA
10   ASNPROALAALAILELYSGLNALAILEALA
11   ALAASNALA

Samples:

sample_1: oxidized yeast thioredoxin 1, [U-100% 13C; U-100% 15N], 0.2 ± 0.01 mM; Sodium Phophate Buffer 20 mM

sample_conditions_1: ionic strength: 0.041 M; pH: 7.0; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

CCPNMR v2.4.2, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance III 600 MHz
  • Bruker Avance III 800 MHz

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