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 16712

Title: 1H, 13C and 15N backbone and side-chain chemical shift assignments for oxidized desulthioredoxin   PubMed: 20390383

Deposition date: 2010-02-08 Original release date: 2010-04-26

Authors: Garcin, Edwige; Bornet, Olivier; Sebban-Kreuzer, Corinne; Guerlesquin, Francoise

Citation: Garcin, Edwige; Bornet, Olivier; Pieulle, Laetitia; Guerlesquin, Francoise; Sebban-Kreuzer, Corinne. "1H, 13C and 15N backbone and side-chain chemical shift assignments for oxidized and reduced desulfothioredoxin."  Biomol. NMR Assignments 4, 135-137 (2010).

Assembly members:
Desulfothioredoxin, polymer, 110 residues, 12362.3 Da.

Natural source:   Common Name: Desulfovibrio vulgaris   Taxonomy ID: 881   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Desulfovibrio vulgaris

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pJF

Entity Sequences (FASTA):
Desulfothioredoxin: MSAIRDITTEAGMAHFEGLS DAIVFFHKNLCPHCKNMEKV LDKFGARAPQVAISSVDSEA RPELMKELGFERVPTLVFIR DGKVAKVFSGIMNPRELQAL YASIHHHHHH

Data sets:
Data typeCount
13C chemical shifts481
15N chemical shifts114
1H chemical shifts769

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1desulfothioredoxin1

Entities:

Entity 1, desulfothioredoxin 110 residues - 12362.3 Da.

1   METSERALAILEARGASPILETHRTHRGLU
2   ALAGLYMETALAHISPHEGLUGLYLEUSER
3   ASPALAILEVALPHEPHEHISLYSASNLEU
4   CYSPROHISCYSLYSASNMETGLULYSVAL
5   LEUASPLYSPHEGLYALAARGALAPROGLN
6   VALALAILESERSERVALASPSERGLUALA
7   ARGPROGLULEUMETLYSGLULEUGLYPHE
8   GLUARGVALPROTHRLEUVALPHEILEARG
9   ASPGLYLYSVALALALYSVALPHESERGLY
10   ILEMETASNPROARGGLULEUGLNALALEU
11   TYRALASERILEHISHISHISHISHISHIS

Samples:

sample_1: oxidized desulfothioredoxin, [U-99% 13C; U-99% 15N], 1 mM; H2O 90%; D2O 10%; Potassium phosphate 0.05 M; NaCl 0.1 M

sample_conditions_1: ionic strength: 0.1 M; pH: 5.5; pressure: 1 atm; temperature: 290 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16713
PDB
GB AAS94861 ABM29571 ADP85513
REF WP_010937685 YP_009602

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