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 11107

Title: The solution structure of the third thioredoxin domain of human Thioredoxin domain-containing protein 5

Deposition date: 2010-02-18 Original release date: 2011-02-18

Authors: Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation: Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "The solution structure of the third thioredoxin domain of human Thioredoxin domain-containing protein 5"  . ., .-..

Assembly members:
3rd thioredoxin domain, polymer, 117 residues, Formula weight is not available

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: cell free synthesis   Host organism: E. coli - cell free

Entity Sequences (FASTA):
3rd thioredoxin domain: GSSGSSGTVLALTENNFDDT IAEGITFIKFYAPWCGHCKT LAPTWEELSKKEFPGLAGVK IAEVDCTAERNICSKYSVRG YPTLLLFRGGKKVSEHSGGR DLDSLHRFVLSQAKDEL

Data sets:
Data typeCount
13C chemical shifts514
15N chemical shifts115
1H chemical shifts792

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
13rd thioredoxin domain1

Entities:

Entity 1, 3rd thioredoxin domain 117 residues - Formula weight is not available

1   GLYSERSERGLYSERSERGLYTHRVALLEU
2   ALALEUTHRGLUASNASNPHEASPASPTHR
3   ILEALAGLUGLYILETHRPHEILELYSPHE
4   TYRALAPROTRPCYSGLYHISCYSLYSTHR
5   LEUALAPROTHRTRPGLUGLULEUSERLYS
6   LYSGLUPHEPROGLYLEUALAGLYVALLYS
7   ILEALAGLUVALASPCYSTHRALAGLUARG
8   ASNILECYSSERLYSTYRSERVALARGGLY
9   TYRPROTHRLEULEULEUPHEARGGLYGLY
10   LYSLYSVALSERGLUHISSERGLYGLYARG
11   ASPLEUASPSERLEUHISARGPHEVALLEU
12   SERGLNALALYSASPGLULEU

Samples:

sample_1: Thioredoxin domain, [U-13C; U-15N], 1.3 mM; d-Tris HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K

Experiments:

NameSampleSample stateSample conditions
3D 15N-SEPARATED NOESYsample_1isotropiccondition_1
3D 13C-SEPARATED NOESYsample_1isotropiccondition_1

Software:

xwinnmr v3.5, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

NMRView v5.0.4, Johnson, B.A. - data analysis

Kujira v0.955, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - structure solution

NMR spectrometers:

  • Bruker AVANCE 900 MHz

Related Database Links:

PDB

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