BMRB: 17013

Backbone Amide relaxation parameters for mutant A77V Tryptophan Repressor

Authors

Goel, A.

Assembly

Tryptophan apo-repressor

Entity

1. Tryptophan apo-repressor (polymer, Thiol state: not present), 108 monomers, 12383.06 × 2 Da Detail

MAQQSPYSAA MAEQRHQEWL RFVDLLKNAY QNDLHLPLLN LMLTPDEREA LGTRVRIVEE LLRGEMSQRE LKNELGVGIA TITRGSNSLK AAPVELRQWL EEVLLKSD

Total weight

24766.12 Da

Max. entity weight

12383.06 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, order_parameters, spectral_density_values

Chem. Shift Complete

Sequence coverage: 90.7 %, Completeness: 32.1 %, Completeness (bb): 58.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	32.1 % (412 of 1285)	18.8 % (127 of 674)	40.0 % (197 of 493)	74.6 % (88 of 118)
Backbone	58.6 % (375 of 640)	45.6 % (99 of 217)	58.9 % (188 of 319)	84.6 % (88 of 104)
Sidechain	17.0 % (127 of 748)	6.1 % (28 of 457)	35.7 % (99 of 277)	0.0 % (0 of 14)
Aromatic	0.0 % (0 of 58)	0.0 % (0 of 29)	0.0 % (0 of 27)	0.0 % (0 of 2)
Methyl	13.8 % (19 of 138)	10.1 % (7 of 69)	17.4 % (12 of 69)

1. apo-A77V-TrpR

MAQQSPYSAA MAEQRHQEWL RFVDLLKNAY QNDLHLPLLN LMLTPDEREA LGTRVRIVEE LLRGEMSQRE LKNELGVGIA TITRGSNSLK AAPVELRQWL EEVLLKSD

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.7, Details All samples had the same conditions

#	Name	Isotope labeling	Type	Concentration
1	H2O	natural abundance		95 %
2	D2O	[U-100% 2H]		5 %
3	PMSF	natural abundance		0.1 mM
4	sodium phosphate	natural abundance		50 mM
5	sodium azide	natural abundance		0.01 %
6	sodium chloride	natural abundance		500 mM
7	EDTA	natural abundance		1 mM
8	apo-A77V-TrpR	[U-100% 13C; U-100% 15N]		1 mM

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LACS Plot; CA

Referencing offset: -0.55 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	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.55 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	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Heteronucl. T₁

80 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 318 K, pH 5.7 Detail

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Pressure 1 atm, Temperature 318 K, pH 5.7

Experiment name 2D 15N T1

Heteronucl. T₂

80 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 318 K, pH 5.7 Detail

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Pressure 1 atm, Temperature 318 K, pH 5.7

Experiment name 2D 15N T2 interleaved

Heteronucl. NOE

80 NOE values in 1 lists
Value type peak height, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 318 K, pH 5.7 Detail

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Pressure 1 atm, Temperature 318 K, pH 5.7

Experiment name 2D 15N {1H} nOe

Heteronucl. T₁/T₂

80 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 318 K, pH 5.7 Detail

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Pressure 1 atm, Temperature 318 K, pH 5.7

Order parameters

82 S² values in 1 lists
Pressure 1 atm, Temperature 318 K, pH 5.7 Detail

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Pressure 1 atm, Temperature 318 K, pH 5.7

Experiment name 2D 15N T1, 2D 15N {1H} nOe, 2D 15N T2 interleaved

List #1 order_parameter_apoA77V

Spectral density

75 values in 1 lists
Pressure 1 atm, Temperature 318 K, pH 5.7 Detail

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Pressure 1 atm, Temperature 318 K, pH 5.7

Experiment name 2D 15N T1, 2D 15N {1H} nOe, 2D 15N T2 interleaved

Release date

2010-07-08

Citation 1

Backbone amide dynamics studies of Apo-L75F-TrpR, a temperature-sensitive mutant of the tryptophan repressor protein (TrpR): comparison with the (15)N NMR relaxation profiles of wild-type and A77V mutant Apo-TrpR repressors
Goel, A., Tripet, B.P., Tyler, R.C., Nebert, L.D., Copie, V.
Biochemistry (2010), 49, 8006-8019, PubMed 20718459 , DOI 10.1021/bi100508u , Abstract

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Citation 2

Three-dimensional solution NMR structure of Apo-L75F-TrpR, a temperature-sensitive mutant of the tryptophan repressor protein
Tyler, R.
Biochemistry (2002), 41, 11954-11962, PubMed 12356295 , DOI 10.1021/bi020304t , Abstract

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Entries sharing articles BMRB: 5 entries Detail

Related entities 1. Tryptophan apo-repressor, : 1 : 28 : 41 entities Detail

Interaction partners 1. Tryptophan apo-repressor, : 2 interactors Detail

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail