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Backbone and stereospecific beta-sidechain assignments of 1H, 13C and 15N for Ubiquitin Unfolded in 8M Urea, pH2.5.
Authors
Vajpai, N., Gentner, M., Grzesiek, S.
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: 98.7 %, Completeness: 60.5 %, Completeness (bb): 96.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All60.5 % (552 of 913)55.9 % (267 of 478)60.6 % (212 of 350)85.9 % (73 of 85)
Backbone96.2 % (427 of 444)96.6 % (144 of 149)94.6 % (210 of 222)100.0 % (73 of 73)
Sidechain35.6 % (192 of 539)37.4 % (123 of 329)34.8 % (69 of 198) 0.0 % (0 of 12)
Aromatic 0.0 % (0 of 32) 0.0 % (0 of 16) 0.0 % (0 of 16)
Methyl 4.1 % (4 of 98) 4.1 % (2 of 49) 4.1 % (2 of 49)

1. Ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 2.5, Details Ubi-13C,15N in 8M urea


#NameIsotope labelingTypeConcentration
1Ubiquitin[U-13C; U-15N]1 mM
2ureanatural abundance8 M
3glycinenatural abundance10 mM
4H2Onatural abundance95 %
5D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: 0.37 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: 0.37 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.22 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 1.0 ppm, Outliers: 1 Detail
Release date
2010-01-24
Citation
Side-chain chi(1) conformations in urea-denatured ubiquitin and protein G from (3)J coupling constants and residual dipolar couplings
Vajpai, N., Gentner, M., Huang, J., Blackledge, M., Grzesiek, S.
J. Am. Chem. Soc. (2010), 132, 3196-3203, PubMed 20155903 , DOI 10.1021/ja910331t ,
Related entities 1. Ubiquitin, : 1 : 200 : 5 : 25 : 139 entities Detail
Interaction partners 1. Ubiquitin, : 24 interactors Detail
Experiments performed 4 experiments Detail
Keywords 3J coupling constants, Coil model, populations, RDCs, Side-chains