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1H, 13C and 15N Assignments of Ubiquitin Unfolded in 8M Urea, pH2 and Analysis of Chemical shift Dispersion in Unfolded Proteins
Authors
Peti, W., Smith, L.J., Redfield, C., Schwalbe, H.
Assembly
Ubiquitin
Entity
1. Ubiquitin (polymer), 76 monomers, 8564.731 Da Detail

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG


Formula weight
8564.731 Da
Source organism
Homo sapiens
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.7 %, Completeness: 85.7 %, Completeness (bb): 96.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All85.7 % (782 of 913)81.0 % (387 of 478)92.0 % (322 of 350)85.9 % (73 of 85)
Backbone96.2 % (427 of 444)94.0 % (140 of 149)97.3 % (216 of 222)97.3 % (71 of 73)
Sidechain78.7 % (424 of 539)75.1 % (247 of 329)88.4 % (175 of 198)16.7 % (2 of 12)
Aromatic 9.4 % (3 of 32)18.8 % (3 of 16) 0.0 % (0 of 16)
Methyl83.7 % (82 of 98)71.4 % (35 of 49)95.9 % (47 of 49)

1. Ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Sample

Pressure 1 atm, Temperature 303 (±0.1) K, pH 2.0 (±0.02), Details The volume used was 250?l in a 5mm microcell Shigemi tube.


#NameIsotope labelingTypeConcentration
1Ubiquitin[U-15N; U-13C]5 mg
2H2O95 %
3D2O5 %
4Urea8 M

LACS Plot; CA
Referencing offset: 0.38 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 0.38 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: 0.01 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.23 ppm, Outliers: 2 Detail
Release date
2001-02-26
Citation
Chemical shifts in denatured proteins: resonance assignments for denatured ubiquitin and comparisons with other denatured proteins
Peti, W., Smith, L.J., Redfield, C., Schwalbe, H.
J. Biomol. NMR (2001), 19, 153-165, PubMed 11256811 ,
Related entities 1. Ubiquitin, : 1 : 200 : 5 : 25 : 140 entities Detail
Interaction partners 1. Ubiquitin, : 27 interactors Detail
Keywords Resonance Assignment, Triple Resonance NMR, Ubiquitin, Unfolded proteins