BMRB: 4493

Solution structure of the designed hydrophobic core mutant of ubiquitin, 1D7

Authors

Johnson, E.C., Lazar, G.A., Desjarlais, J.R., Handel, T.M.

Assembly

Ubiquitin core mutant 1D7

Entity

1. Ubiquitin core mutant 1D7 (polymer, Thiol state: not present), 76 monomers, 8584.720 Da Detail

MQVFLKTLTG KTVTIEVEPS DTVENFKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTIHLV LRLRGG

Formula weight

8584.72 Da

Exptl. method

NMR

Refine. method

RESTRAINED MOLECULAR DYNAMICS/SIULATED ANNEALING USING THE ARIA PROCEDURE OF NILGES (NILGES ET AL. (1997) J MOL BIOL 269, 408-422) AND EXPLICIT SWAPPING OF NON-STEREOSPECIFICALLY ASSIGNED METHYLS AND METHYLENES (FOLMER ET AL. & NILGES (1997) J BIOMOL NMR 9, 245-258).

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.6 %, Completeness (bb): 80.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	88.6 % (806 of 910)	95.0 % (454 of 478)	79.2 % (278 of 351)	91.4 % (74 of 81)
Backbone	80.9 % (364 of 450)	94.2 % (146 of 155)	68.0 % (151 of 222)	91.8 % (67 of 73)
Sidechain	93.8 % (497 of 530)	93.2 % (301 of 323)	95.0 % (189 of 199)	87.5 % (7 of 8)
Aromatic	90.5 % (38 of 42)	90.5 % (19 of 21)	90.5 % (19 of 21)
Methyl	95.7 % (90 of 94)	95.7 % (45 of 47)	95.7 % (45 of 47)

1. Ubiquitin core mutant 1D7

MQVFLKTLTG KTVTIEVEPS DTVENFKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTIHLV LRLRGG

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	Ubiquitin core mutant 1D7	[U-13C; U-15N]		2 mM
2	sodium acetate D3			25 mM
3	sodium azide			0.02 %

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LACS Plot; CA

Referencing offset: -0.14 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.14 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.07 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	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 1UD7, Strand ID: A Detail

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Release date

2000-06-15

Citation

Solution structure and dynamics of a designed hydrophobic core variant of ubiquitin
Johnson, E.C., Lazar, G.A., Desjarlais, J.R., Handel, T.M.
Structure (1999), 7, 967-976, PubMed 10467150 , DOI: , Abstract

Related entities 1. Ubiquitin core mutant 1D7, : 1 : 722 entities Detail

Interaction partners 1. Ubiquitin core mutant 1D7, : 2 interactors Detail

Experiments performed 11 experiments Detail