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Complete 1H, 13C, and 15N chemical shifts for human recombinant ubiquitin in reverse micelles
Authors
Babu, C.R., Flynn, P.F., Wand, 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
NMR
Refine. method
torsion angle dynamics using DYANA
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 97.9 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All97.9 % (894 of 913)99.4 % (475 of 478)96.0 % (336 of 350)97.6 % (83 of 85)
Backbone97.5 % (433 of 444)99.3 % (148 of 149)96.4 % (214 of 222)97.3 % (71 of 73)
Sidechain98.3 % (530 of 539)99.4 % (327 of 329)96.5 % (191 of 198)100.0 % (12 of 12)
Aromatic81.3 % (26 of 32)100.0 % (16 of 16)62.5 % (10 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

Temperature 293 (±1) K, pH 5.0 (±0.2), Details emulsion


#NameIsotope labelingTypeConcentration
1ubiquitin[U-13C; U-15N]0.3 mM
2d-pentane98 %

LACS Plot; CA
Referencing offset: -0.14 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.14 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: -0.08 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.14 ppm, Outliers: 6 Detail
Protein Blocks Logo
Calculated from 32 models in PDB: 1G6J, Strand ID: A Detail


Release date
2003-06-11
Citation
Validation of protein structure from preparations of encapsulated proteins dissolved in low viscosity fluids
Babu, C.R., Flynn, P.F., Wand, A.JOSHUA.
J. Am. Chem. Soc. (2001), 123, 2691-2692, PubMed 11456950 , DOI 10.1021/ja005766d
Related entities 1. ubiquitin, : 1 : 200 : 5 : 25 : 140 entities Detail
Interaction partners 1. ubiquitin, : 27 interactors Detail
Experiments performed 8 experiments Detail
Keywords ubiquitin, reverse micelle