BMRBj - BMREntryMaster

Found 1 Document (0.741 seconds)

BMRB: 18831

2M0X

Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14

Authors

Phillips, A.H., Fairbrother, W.J., Corn, J.E.

Assembly

U14Ub1

Entity

1. U14Ub1 (polymer, Thiol state: not present), 78 monomers, 8697.796 Da Detail

GSMQIFVKGL TGKTTTLEVE PSDTIENVKA KIQDKTGLPP DQQRLIFAGK QLEDGRTLSD YNIQKESTLH IVWRLRGG

Formula weight

8697.796 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.4 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.4 % (831 of 919)	89.4 % (431 of 482)	93.2 % (329 of 353)	84.5 % (71 of 84)
Backbone	96.1 % (444 of 462)	96.9 % (156 of 161)	96.5 % (218 of 226)	93.3 % (70 of 75)
Sidechain	86.7 % (457 of 527)	85.7 % (275 of 321)	91.9 % (181 of 197)	11.1 % (1 of 9)
Aromatic	100.0 % (44 of 44)	100.0 % (22 of 22)	100.0 % (21 of 21)	100.0 % (1 of 1)
Methyl	94.6 % (87 of 92)	95.7 % (44 of 46)	93.5 % (43 of 46)

1. entity

GSMQIFVKGL TGKTTTLEVE PSDTIENVKA KIQDKTGLPP DQQRLIFAGK QLEDGRTLSD YNIQKESTLH IVWRLRGG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 297 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	U14Ub1	[U-99% 13C; U-99% 15N]	1 mM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	125 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 297 K, pH 7.5

#	Name	Isotope labeling	Concentration
6	U14Ub1	[U-99% 13C; U-99% 15N]	1 mM
7	sodium phosphate	natural abundance	25 mM
8	sodium chloride	natural abundance	125 mM
9	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: 0.47 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.47 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.15 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M0X, Strand ID: A Detail

Release date

2013-06-23

Citation

Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling
Phillips, A.H., Zhang, Y., Cunningham, C.N., Zhou, L., Forrest, W.F., Liu, P.S., Steffek, M., Lee, J., Tam, C., Helgason, E., Murray, J.M., Kirkpatrick, D.S., Fairbrother, W.J., Corn, J.E.
Proc. Natl. Acad. Sci. U. S. A. (2013), 110, 11379-11384, PubMed 23801757 , DOI 10.1073/pnas.1302407110 , Abstract

Related entities 1. U14Ub1, : 1 : 733 entities Detail

Interaction partners 1. U14Ub1, : 10 interactors Detail

More details for 10 interactors identified by 4 citations

Experiments performed 9 experiments Detail

1 3D HNCA