BMRB: 5387

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): 97.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	97.9 % (890 of 909)	99.4 % (475 of 478)	96.3 % (337 of 350)	96.3 % (78 of 81)
Backbone	97.6 % (439 of 450)	99.4 % (154 of 155)	96.8 % (215 of 222)	95.9 % (70 of 73)
Sidechain	98.3 % (520 of 529)	99.4 % (321 of 323)	96.5 % (191 of 198)	100.0 % (8 of 8)
Aromatic	81.3 % (26 of 32)	100.0 % (16 of 16)	62.5 % (10 of 16)
Methyl	100.0 % (98 of 98)	100.0 % (49 of 49)	100.0 % (49 of 49)

1. ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	ubiquitin	[U-13C; U-15N]		0.3 mM
2	d-pentane			98 %

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LACS Plot; CA

Referencing offset: -0.14 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
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0

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LACS Plot; CB

Referencing offset: -0.14 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
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0

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LACS Plot; HA

Referencing offset: -0.08 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
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0

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LACS Plot; CO

Referencing offset: 0.14 ppm, Outliers: 6 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0

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Protein Blocks Logo

Calculated from 32 models in PDB: 1G6J, Strand ID: A Detail

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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 : 292 : 11 : 72 : 321 entities Detail

Interaction partners 1. ubiquitin, : 27 interactors Detail

Experiments performed 8 experiments Detail