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13C, 15N Chemical shifts of the C-terminal fragment of E. coli thioredoxin reassembly using solid-state NMR spectroscopy
Authors
Marulanda, D., Tasayco, M., McDermott, A., Cataldi, M., Arriaran, V., Polenova, T.
Assembly
C-terminal Trx reassembly
Entity
1. C-terminal Trx reassembly (polymer, Thiol state: not available), 35 monomers, 3628.218 Da Detail

GIPTLLLFKN GEVAATKVGA LSKGQLKEFL DANLA


Formula weight
3628.218 Da
Source organism
Escherichia coli
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 91.8 %, Completeness (bb): 97.8 % Detail

Polymer type: polypeptide(L)

Total13C15N
All91.8 % (179 of 195)92.4 % (146 of 158)89.2 % (33 of 37)
Backbone97.8 % (132 of 135)98.0 % (99 of 101)97.1 % (33 of 34)
Sidechain85.7 % (78 of 91)88.6 % (78 of 88) 0.0 % (0 of 3)
Aromatic50.0 % (5 of 10)50.0 % (5 of 10)
Methyl81.5 % (22 of 27)81.5 % (22 of 27)

1. C-terminal of Trx reassembly

GIPTLLLFKN GEVAATKVGA LSKGQLKEFL DANLA

Sample

Solvent system H2O, Pressure 1 atm, Temperature 273 K, pH 3.5


#NameIsotope labelingTypeConcentration
1C-terminal of Trx reassembly[U-100% 13C; U-100% 15N]PEG precipitate mg

LACS Plot; CA
Referencing offset: -0.42 ppm, Outliers: 3 Detail
LACS Plot; CB
Referencing offset: -0.42 ppm, Outliers: 3 Detail
LACS Plot; CO
Referencing offset: -0.24 ppm, Outliers: 1 Detail
Release date
2011-10-27
Citation
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
Marulanda, D., Tasayco, M.L., McDermott, A., Cataldi, M., Arriaran, V., Polenova, T.
J. Am. Chem. Soc. (2004), 126, 16608-16620, PubMed 15600367 , DOI 10.1021/ja0464589 ,
Related entities 1. C-terminal Trx reassembly, : 1 : 45 : 1 : 8 : 108 entities Detail
Interaction partners 1. C-terminal Trx reassembly, : 23 interactors Detail