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13C, 15N Chemical shifts of E. coli thioredoxin using solid-state nmr spectroscopy
Authors
Paramasivam, S.
Assembly
TRX Intact
Entity
1. TRX Intact (polymer, Thiol state: not available), 108 monomers, 11675.28 Da Detail

SDKIIHLTDD SFDTDVLKAD GAILVDFWAE WCGPCKMIAP ILDEIADEYQ GKLTVAKLNI DQNPGTAPKY GIRGIPTLLL FKNGEVAATK VGALSKGQLK EFLDANLA


Formula weight
11675.28 Da
Source organism
Escherichia coli
Exptl. method
SOLID-STATE NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 99.1 %, Completeness: 92.0 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

Total13C15N
All92.0 % (554 of 602)92.6 % (453 of 489)89.4 % (101 of 113)
Backbone98.3 % (411 of 418)98.4 % (310 of 315)98.1 % (101 of 103)
Sidechain85.2 % (241 of 283)88.3 % (241 of 273) 0.0 % (0 of 10)
Aromatic28.6 % (12 of 42)30.0 % (12 of 40) 0.0 % (0 of 2)
Methyl95.8 % (69 of 72)95.8 % (69 of 72)

1. TRX intact

SDKIIHLTDD SFDTDVLKAD GAILVDFWAE WCGPCKMIAP ILDEIADEYQ GKLTVAKLNI DQNPGTAPKY GIRGIPTLLL FKNGEVAATK VGALSKGQLK EFLDANLA

Sample

Solvent system water, Pressure 1 atm, Temperature 273 K, pH 7


#NameIsotope labelingTypeConcentration
1TRX Intact[U-100% 13C; U-100% 15N]0.0 ~ 0.0 mM
2H2Onatural abundance100 %

LACS Plot; CA
Referencing offset: 0.4 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 0.4 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.66 ppm, Outliers: 1 Detail
Release date
2011-07-14
Citation
Resonance assignments and secondary structure analysis of E. coli thioredoxin by magic angle spinning solid-state NMR spectroscopy
Marulanda, D., Tasayco, M., Cataldi, M., Arriaran, V., Polenova, T.
J. Phys. Chem. B (2005), 109, 18135-18145, PubMed 16853329 , DOI 10.1021/jp052774d ,
Related entities 1. TRX Intact, : 1 : 28 : 11 : 27 : 128 entities Detail
Interaction partners 1. TRX Intact, : 23 interactors Detail
Experiments performed 5 experiments Detail