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UBIQUITIN NMR STRUCTURE
Authors
Cornilescu, G., Marquardt, J.L., Ottiger, M., Bax, A.
Assembly
Ubiquitin
Entity
1. Ubiquitin (polymer, Thiol state: not present), 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
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 97.9 %, Completeness (bb): 99.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All97.9 % (894 of 913)97.5 % (466 of 478)99.4 % (348 of 350)94.1 % (80 of 85)
Backbone99.1 % (440 of 444)98.0 % (146 of 149)100.0 % (222 of 222)98.6 % (72 of 73)
Sidechain97.2 % (524 of 539)97.3 % (320 of 329)99.0 % (196 of 198)66.7 % (8 of 12)
Aromatic87.5 % (28 of 32)87.5 % (14 of 16)87.5 % (14 of 16)
Methyl100.0 % (98 of 98)100.0 % (49 of 49)100.0 % (49 of 49)

1. Ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details UBIQUITIN HUMAN SEQUENCE


#NameIsotope labelingTypeConcentration
1PROTEIN (UBIQUITIN)[U-99% 13C; U-99% 15N]0.0 ~ 0.0 mM
2Phosphate Buffernatural abundance50 mM
3D2Onatural abundance7 %
4H2Onatural abundance93 %

LACS Plot; CA
Referencing offset: -0.13 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.13 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: -0.1 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.02 ppm, Outliers: 4 Detail
Release date
2011-08-15
Citation
Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase
Cornilescu, G., Marquardt, J.L., Ottiger, M., Bax, A.
J. Am. Chem. Soc. (1998), 120, 6836-6837, DOI 10.1021/ja9812610
Related entities 1. Ubiquitin, : 1 : 200 : 5 : 25 : 139 entities Detail
Interaction partners 1. Ubiquitin, : 24 interactors Detail
Experiments performed 4 experiments Detail
Keywords HYDROLASE, UBIQUITIN NMR LIQUID CRYSTAL DIPOLAR COUPLING