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BMRB: 11024

2RNJ

NMR STRUCTURE OF THE S. AUREUS VRAR DNA BINDING DOMAIN

Authors

Assembly

VRAR DNA binding domain

Entity

1. VRAR DNA binding domain (polymer, Thiol state: not present), 91 monomers, 10362.71 Da Detail

GSSHHHHHHS SGLVPRGSHM KKRAELYEML TEREMEILLL IAKGYSNQEI ASASHITIKT VKTHVSNILS KLEVQDRTQA VIYAFQHNLI Q

Formula weight

10362.71 Da

Source organism

Staphylococcus aureus subsp. aureus Mu50

Exptl. method

Refine. method

simulated annealing, additional refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 72.5 %, Completeness: 59.7 %, Completeness (bb): 67.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	59.7 % (639 of 1071)	57.8 % (321 of 555)	61.0 % (255 of 418)	64.3 % (63 of 98)
Backbone	67.3 % (366 of 544)	65.9 % (122 of 185)	68.0 % (183 of 269)	67.8 % (61 of 90)
Sidechain	54.4 % (334 of 614)	53.8 % (199 of 370)	56.4 % (133 of 236)	25.0 % (2 of 8)
Aromatic	20.3 % (15 of 74)	24.3 % (9 of 37)	16.2 % (6 of 37)
Methyl	87.3 % (96 of 110)	85.5 % (47 of 55)	89.1 % (49 of 55)

1. VRAR DNA binding domain

GSSHHHHHHS SGLVPRGSHM KKRAELYEML TEREMEILLL IAKGYSNQEI ASASHITIKT VKTHVSNILS KLEVQDRTQA VIYAFQHNLI Q

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

LACS Plot; CA

Referencing offset: -0.41 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.41 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.14 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: -0.5 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2008-03-04

Citation

The NMR structure of the Staphylococcus aureus response regulator VraR DNA binding domain reveals a dynamic relationship between it and its associated receiver domain
Donaldson, L.
Biochemistry (2008), 47, 3379-3388, PubMed 18293926 , DOI 10.1021/bi701844q , Abstract

Related entities 1. VRAR DNA binding domain, : 1 : 56 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

2 2D 1H-13C HSQC

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

3 3D CBCA(CO)NH

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

4 3D C(CO)NH

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

5 3D HNCO

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

6 3D HNCACB

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

7 3D H(CCO)NH

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

8 3D HCCH-TOCSY

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

9 3D 1H-15N NOESY

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

10 3D HCCH-TOCSY

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

11 3D 1H-13C NOESY

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

12 2D (HB)CB(CGCD)HD

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

13 2D (HB)CB(CGCDCE)HE

Instrument

Varian NMRS - 600 MHz equipped with salt tolerant cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	VRAR DNA binding domain	[U-98% 13C; U-98% 15N]	protein	0.3 mM
2	sodium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		750 mM
4	sodium azide	natural abundance		0.05 %
5	H2O		solvent	90 %
6	D2O		solvent	10 %

nullKeywords HTH LUXR-TYPE DOMAIN