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Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase
Authors
Cornilescu, G., Marquardt, J.L., Ottiger, M., Bax, A.
Assembly
Ubiqutin assembly
Entity
1. Ubiqutin assembly (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
molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 91.1 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All91.1 % (832 of 913)85.8 % (410 of 478)97.7 % (342 of 350)94.1 % (80 of 85)
Backbone98.2 % (436 of 444)95.3 % (142 of 149)100.0 % (222 of 222)98.6 % (72 of 73)
Sidechain86.5 % (466 of 539)81.5 % (268 of 329)96.0 % (190 of 198)66.7 % (8 of 12)
Aromatic50.0 % (16 of 32)50.0 % (8 of 16)50.0 % (8 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 292 (±0) K, pH 6.6 (±0), Details Using 5% w/v bicelles in 93% H2O, &% D2O, with a 3:1 ratio of DMPC:DHPC at 304 K.


#NameIsotope labelingTypeConcentration
1Ubiquitin[U-13C; U-15N]0.7 mM
2phosphatebuffer10 mM
3H20buffer93 %
4D20buffer7 %
5DMPC:DHPC(3:1)lipid5 w/v

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
Protein Blocks Logo
Calculated from 1 models in PDB: 2MOR, Strand ID: A Detail


Release date
2007-03-21
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. Ubiqutin assembly, : 201 : 5 : 25 : 139 entities Detail
Interaction partners 1. Ubiqutin assembly, : 24 interactors Detail
Experiments performed 2 experiments Detail
Keywords Liquid Crystal, Ubiquitin, HYDROLASE