BMRB: 17047

Backbone dynamics of Tryptophan repressor A77V mutant protein in holo-form

Authors

Goel, A.

Assembly

holoTrpR dimer A77V variant

Entity

1. TrpR A77V (polymer, Thiol state: not present), 113 monomers, 13074.69 Da Detail

HHHHHHAQQS PYSAAMAEQR HQEWLRFVDL LKNAYQNDLH LPLLNLMLTP DEREALGTRV RIVEELLRGE MSQRELKNEL GVGIATITRG SNSLKAAPVE LRQWLEEVLL KSD

2. TRYPTOPHAN (non-polymer), 1 monomers, 204.225 Da

Total weight

13278.915 Da

Max. entity weight

13074.69 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: 87.6 %, Completeness: 32.0 %, Completeness (bb): 57.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	32.0 % (430 of 1344)	18.6 % (131 of 703)	40.2 % (208 of 518)	74.0 % (91 of 123)
Backbone	57.8 % (387 of 670)	43.2 % (98 of 227)	59.3 % (198 of 334)	83.5 % (91 of 109)
Sidechain	17.5 % (137 of 782)	6.9 % (33 of 476)	35.6 % (104 of 292)	0.0 % (0 of 14)
Aromatic	0.0 % (0 of 82)	0.0 % (0 of 41)	0.0 % (0 of 39)	0.0 % (0 of 2)
Methyl	18.1 % (25 of 138)	13.0 % (9 of 69)	23.2 % (16 of 69)

1. TrpR A77V

HHHHHHAQQS PYSAAMAEQR HQEWLRFVDL LKNAYQNDLH LPLLNLMLTP DEREALGTRV RIVEELLRGE MSQRELKNEL GVGIATITRG SNSLKAAPVE LRQWLEEVLL KSD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.7

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

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 5.7

#	Name	Isotope labeling	Type	Concentration
10	TrpR	[U-100% 13C; U-100% 15N]		1 mM
11	L-Tryptophan	natural abundance		5 mM
12	D2O	natural abundance		5 %
13	H2O	natural abundance		95 %
14	PMSF	natural abundance		0.1 mM
15	sodium azide	natural abundance		0.01 %
16	sodium chloride	natural abundance		500 mM
17	sodium phosphate	natural abundance		50 mM
18	EDTA	natural abundance		1 mM

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LACS Plot; CA

Referencing offset: -0.54 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	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: -0.54 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	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

82 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

82 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

82 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

82 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

79 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_list_1

Spectral density

82 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

2010-08-08

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

Show more 1 citaion

Citation 2

Backbone amide dynamics studies of apo-L75F-TrpR, a temperature sensitive mutant of the tryptophan repressor protein (TrpR): comparison with the 15N NMR relaxation profiles of wild type and A77V mutant apo-TrpR repressors
Goel, A., Tripet, B.P., Copie, V.
Biochemistry

Hide non-primary 1 citaion

Related entities 1. TrpR A77V, : 1 : 27 : 34 entities Detail

Interaction partners 1. TrpR A77V, : 2 interactors Detail

Experiments performed 6 experiments Detail

Chemical shift validation 4 contents Detail