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BMRB: 5303

1J56

Solution structure and backbone dynamics of beryllofluoride-activated NTRC receiver domain

Authors

Hastings, C.A., Lee, S., Cho, H.S., Yan, D., Kustu, S., Wemmer, D.E.

Assembly

nitrogen regulation protein NR(I)

Entity

1. nitrogen regulation protein NR(I) (polymer, Thiol state: all free), 124 monomers, 13623.50 Da Detail

MQRGIVWVVD DDSSIRWVLE RALAGAGLTC TTFENGNEVL AALASKTPDV LLSDIRMPGM DGLALLKQIK QRHPMLPVII MTAHSDLDAA VSAYQQGAFD YLPKPFDIDE AVALVERAIS HYQE

Formula weight

13623.5 Da

Source organism

Salmonella enterica subsp. enterica serovar Typhimurium

Exptl. method

NMR

Refine. method

distance geometry,

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 83.4 %, Completeness (bb): 81.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.4 % (1173 of 1407)	90.9 % (656 of 722)	71.6 % (399 of 557)	92.2 % (118 of 128)
Backbone	81.8 % (599 of 732)	95.6 % (238 of 249)	68.2 % (249 of 365)	94.9 % (112 of 118)
Sidechain	85.7 % (679 of 792)	87.5 % (414 of 473)	83.8 % (259 of 309)	60.0 % (6 of 10)
Aromatic	71.1 % (64 of 90)	86.7 % (39 of 45)	53.5 % (23 of 43)	100.0 % (2 of 2)
Methyl	98.2 % (165 of 168)	100.0 % (84 of 84)	96.4 % (81 of 84)

1. nitrogen regulation protein NR(I)

MQRGIVWVVD DDSSIRWVLE RALAGAGLTC TTFENGNEVL AALASKTPDV LLSDIRMPGM DGLALLKQIK QRHPMLPVII MTAHSDLDAA VSAYQQGAFD YLPKPFDIDE AVALVERAIS HYQE

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹H	na	na	null	null
¹⁵N	na	na	null	null
¹³C	na	na	null	null

Referencing offset: -0.37 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹H	na	na	null	null
¹⁵N	na	na	null	null
¹³C	na	na	null	null

Referencing offset: -0.37 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹H	na	na	null	null
¹⁵N	na	na	null	null
¹³C	na	na	null	null

Referencing offset: -0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 26 models in PDB: 1KRX, Strand ID: A Detail

Coupling constant

76 J values in 1 lists
Pressure 1 atm, Temperature 303 K, pH 6.75 Detail

Release date

2003-08-26

Citation

High-resolution solution structure of the beryllofluoride-activated NtrC receiver domain
Hastings, C.A., Lee, S., Cho, H.S., Yan, D., Kustu, S., Wemmer, D.E.
Biochemistry (2003), 42, 9081-9090, PubMed 12885241 , DOI 10.1021/bi0273866 , Abstract

Related entities 1. nitrogen regulation protein NR(I), : 1 : 7 : 3 : 285 entities Detail

Experiments performed 9 experiments Detail

1 3D 15N-separated NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

2 4D 13C/15N-separated NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

3 4D 13C-separated NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

4 3D 13C-separated NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

5 HNCA-J

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

6 CBCA(CO)NH

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

7 13C,1H-HSQC

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

8 IPAP-HSQC

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

9 HNHA

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
2	sodium phosphate buffer		50 mM
3	NaCl		50 mM
4	BeCl2		4.4 mM
5	MgCl2		7.2 mM
6	NaF		29 mM
7	H2O		95 %
8	D2O		5 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
9	nitrogen regulation protein NR(I)	[U-13C; U-15N]	1.1 ~ 1.5 mM
10	sodium phosphate buffer		50 mM
11	NaCl		50 mM
12	BeCl2		4.4 mM
13	MgCl2		7.2 mM
14	NaF		29 mM
15	H2O		95 %
16	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
17	nitrogen regulation protein NR(I)	[U-10% 13C]	1.1 ~ 1.5 mM
18	sodium phosphate buffer		50 mM
19	NaCl		50 mM
20	BeCl2		4.4 mM
21	MgCl2		7.2 mM
22	NaF		29 mM
23	H2O		95 %
24	D2O		5 %

Sample #4

Pressure 1 atm, Temperature 303 K, pH 6.75

#	Name	Isotope labeling	Concentration
25	nitrogen regulation protein NR(I)	[U-15N]	1.1 ~ 1.5 mM
26	sodium phosphate buffer		50 mM
27	NaCl		50 mM
28	BeCl2		4.4 mM
29	MgCl2		7.2 mM
30	NaF		29 mM
31	H2O		95 %
32	D2O		5 %
33	phage pf1		30 mg/mL

nullKeywords two component signal transduction, receiver domain, BeF3, phosphorylation, Bacterial nitrogen regulatory protein

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Found 1 Document (1.705 seconds)

BMRB: 5303

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. nitrogen regulation protein NR(I), : 1 : 7 : 3 : 285 entities Detail

Experiments performed 9 experiments Detail

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