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 17944

Title: 13C, 15N Chemical shifts of the C-terminal fragment of E. coli thioredoxin reassembly using solid-state NMR spectroscopy   PubMed: 15600367

Deposition date: 2011-09-15 Original release date: 2011-10-28

Authors: Marulanda, Dabeiba; Tasayco, Maria; McDermott, Ann; Cataldi, Marcela; Arriaran, Vilma; Polenova, Tatyana

Citation: Marulanda, Dabeiba; Tasayco, Maria; McDermott, Ann; Cataldi, M.; Arriaran, V.; Polenova, Tatyana. "Magic angle spinning solid-state NMR spectroscopy for structural studies of protein interfaces. resonance assignments of differentially enriched Escherichia coli thioredoxin reassembled by fragment complementation."  J. Am. Chem. Soc. 126, 16608-16620 (2004).

Assembly members:
C-terminal_of_Trx_reassembly, polymer, 35 residues, Formula weight is not available

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTK100

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts152
15N chemical shifts34

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1C-terminal fragment1


Entity 1, C-terminal fragment 35 residues - Formula weight is not available



sample_1: C-terminal of Trx reassembly, [U-100% 13C; U-100% 15N], PEG precipitate mg

sample_conditions_1: ionic strength: 10 mM; pH: 3.5; pressure: 1 atm; temperature: 273 K


NameSampleSample stateSample conditions
2D 13C-13C DARRsample_1solidsample_conditions_1
2D 15N-13C NCAsample_1solidsample_conditions_1
2D 15N-13C NCOsample_1solidsample_conditions_1
2D 15N-13C NCACXsample_1solidsample_conditions_1
2D 15N-13C NCOCXsample_1solidsample_conditions_1


NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Goddard - chemical shift assignment, processing

NMR spectrometers:

  • Bruker Avance 750 MHz

Related Database Links:

BMRB 17700 1812 1813
DBJ BAA00903 BAB38137 BAE77517 BAG79587 BAH61053
EMBL CAA79851 CAD09400 CAG77109 CAO95241 CAP78228
GB AAA24533 AAA24534 AAA24693 AAA24694 AAA24696
PIR AF0922 B91218 C86064
REF NP_312741 NP_418228 NP_457831 NP_462806 NP_709584
SP P0AA25 P0AA26 P0AA27 P0AA28 P0AA29