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Backbone 1H, 13C, and 15N Chemical Shift Assignments for human ubiquitin
Authors
Jaravine, V.A., Zhuravleva, A., Permi, P., Ibraghimov, I., Orekhov, V.YU.
Assembly
ubi
Entity
1. ubi (polymer, Thiol state: not reported), 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
Refine. method
torsion angle dynamics, simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.7 %, Completeness: 39.1 %, Completeness (bb): 78.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All39.1 % (357 of 913)15.3 % (73 of 478)61.1 % (214 of 350)82.4 % (70 of 85)
Backbone78.2 % (347 of 444)44.3 % (66 of 149)95.0 % (211 of 222)95.9 % (70 of 73)
Sidechain14.5 % (78 of 539) 2.1 % (7 of 329)35.9 % (71 of 198) 0.0 % (0 of 12)
Aromatic 0.0 % (0 of 32) 0.0 % (0 of 16) 0.0 % (0 of 16)
Methyl 6.1 % (6 of 98) 4.1 % (2 of 49) 8.2 % (4 of 49)

1. Ubi

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 4.6 (±0.05)


#NameIsotope labelingTypeConcentration
1Ubi[U-13C; U-15N]1.7 mM
2Phosphate20 mM
3H2O90 %
4D2O10 %

LACS Plot; CA
Referencing offset: -0.13 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.13 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.2 ppm, Outliers: 4 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LD9, Strand ID: A Detail


Release date
2008-03-13
Citation
Hyperdimensional NMR spectroscopy with nonlinear sampling
Jaravine, V.A., Zhuravleva, A., Permi, P., Ibraghimov, I., Orekhov, V.YU.
J. Am. Chem. Soc. (2008), 130, 3927-3936, PubMed 18311971 , DOI 10.1021/ja077282o ,
Related entities 1. ubi, : 201 : 5 : 25 : 139 entities Detail
Interaction partners 1. ubi, : 24 interactors Detail
Experiments performed 5 experiments Detail