BMRB: 36082

Relaxed state of S65-phosphorylated ubiquitin

Authors

Xu, D., Zhou, G., Qin, L.Y., Ran, M.L., Zhang, C.L., Liu, K., Liu, Z., Zhang, W.P., Tang, C.

Assembly

relaxed pUb

Entity

1. relaxed pUb (polymer, Thiol state: not present), 76 monomers, 8644.710 Da Detail

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKEXTLHLV LRLRGG

Formula weight

8644.71 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.1 %, Completeness: 79.4 %, Completeness (bb): 92.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	79.4 % (715 of 901)	75.1 % (356 of 474)	84.1 % (292 of 347)	83.7 % (67 of 80)
Backbone	92.1 % (409 of 444)	90.8 % (139 of 153)	92.7 % (203 of 219)	93.1 % (67 of 72)
Sidechain	69.4 % (365 of 526)	66.4 % (213 of 321)	77.2 % (152 of 197)	0.0 % (0 of 8)
Aromatic	37.5 % (12 of 32)	62.5 % (10 of 16)	12.5 % (2 of 16)
Methyl	81.6 % (80 of 98)	81.6 % (40 of 49)	81.6 % (40 of 49)

1. Polyubiquitin-B

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKEXTLHLV LRLRGG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.8 mM [U-98% 13C; U-98% 15N] relaxed pUb, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	relaxed pUb	[U-98% 13C; U-98% 15N]	protein	0.8 mM
2	HEPES	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	150 mM
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

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LACS Plot; CA

Referencing offset: -0.16 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	4.7 ppm	na	indirect	0.2514495
1H	water	protons	4.7 ppm	internal	direct	1.0
15N	water	protons	4.7 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.16 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	4.7 ppm	na	indirect	0.2514495
1H	water	protons	4.7 ppm	internal	direct	1.0
15N	water	protons	4.7 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.05 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	4.7 ppm	na	indirect	0.2514495
1H	water	protons	4.7 ppm	internal	direct	1.0
15N	water	protons	4.7 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.22 ppm, Outliers: 2 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	4.7 ppm	na	indirect	0.2514495
1H	water	protons	4.7 ppm	internal	direct	1.0
15N	water	protons	4.7 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 30 models in PDB: 5XK5, Strand ID: A Detail

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Release date

2017-08-01

Citation

Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Dong, X., Gong, Z., Lu, Y.B., Liu, K., Qin, L.Y., Ran, M.L., Zhang, C.L., Liu, Z., Zhang, W.P., Tang, C.
Proc. Natl. Acad. Sci. U. S. A. (2017), 114, 6770-6775, PubMed 28611216 , DOI 10.1073/pnas.1705718114 , Abstract

Related entities 1. relaxed pUb, : 384 : 340 entities Detail

Interaction partners 1. relaxed pUb, : 27 interactors Detail

Experiments performed 5 experiments Detail