BMRB: 15410

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: 40.9 %, Completeness (bb): 79.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	40.9 % (372 of 909)	17.4 % (83 of 478)	62.6 % (219 of 350)	86.4 % (70 of 81)
Backbone	79.1 % (356 of 450)	46.5 % (72 of 155)	96.4 % (214 of 222)	95.9 % (70 of 73)
Sidechain	15.9 % (84 of 529)	3.4 % (11 of 323)	36.9 % (73 of 198)	0.0 % (0 of 8)
Aromatic	0.0 % (0 of 32)	0.0 % (0 of 16)	0.0 % (0 of 16)
Methyl	10.2 % (10 of 98)	8.2 % (4 of 49)	12.2 % (6 of 49)

1. Ubi

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

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Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Ubi	[U-13C; U-15N]		1.7 mM
2	Phosphate			20 mM
3	H2O			90 %
4	D2O			10 %

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LACS Plot; CA

Referencing offset: -0.13 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	4.7547 ppm	internal	indirect	0.2514495
1H	water	protons	4.7547 ppm	internal	direct	1.0
15N	water	protons	4.7547 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.13 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	4.7547 ppm	internal	indirect	0.2514495
1H	water	protons	4.7547 ppm	internal	direct	1.0
15N	water	protons	4.7547 ppm	internal	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.2 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	4.7547 ppm	internal	indirect	0.2514495
1H	water	protons	4.7547 ppm	internal	direct	1.0
15N	water	protons	4.7547 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2LD9, Strand ID: A Detail

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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 , Abstract

Related entities 1. ubi, : 293 : 11 : 72 : 321 entities Detail

Interaction partners 1. ubi, : 27 interactors Detail

Experiments performed 5 experiments Detail