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BMRB: 6717

1ZG2

Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2.

Authors

Aramini, J.M., Swapna, G.V.T., Xiao, R., Ma, L., Shastry, R., Ciano, M., Acton, T.B., Liu, J., Rost, B., Cort, J.R., Kennedy, M.A., Montelione, G.T.

Assembly

Hypothetical UPF0213 protein BH0048

Entity

1. Hypothetical UPF0213 protein BH0048 (polymer, Thiol state: all free), 107 monomers, 12528.02 Da Detail

MAGDPMNHYV YILECKDGSW YTGYTTDVDR RIKKHASGKG AKYTRGRGPF RLVATWAFPS KEEAMRWEYE VKHLSRRKKE QLVSLKGGPY ENTTKLSTTL EHHHHHH

Formula weight

12528.02 Da

Source organism

Alkalihalobacillus halodurans

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.5 %, Completeness: 87.0 %, Completeness (bb): 91.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.0 % (1114 of 1280)	85.5 % (573 of 670)	88.4 % (443 of 501)	89.9 % (98 of 109)
Backbone	91.5 % (580 of 634)	91.8 % (201 of 219)	92.0 % (287 of 312)	89.3 % (92 of 103)
Sidechain	84.0 % (625 of 744)	82.5 % (372 of 451)	86.1 % (247 of 287)	100.0 % (6 of 6)
Aromatic	79.7 % (118 of 148)	79.7 % (59 of 74)	78.9 % (56 of 71)	100.0 % (3 of 3)
Methyl	97.7 % (84 of 86)	97.7 % (42 of 43)	97.7 % (42 of 43)

1. BhR2

MAGDPMNHYV YILECKDGSW YTGYTTDVDR RIKKHASGKG AKYTRGRGPF RLVATWAFPS KEEAMRWEYE VKHLSRRKKE QLVSLKGGPY ENTTKLSTTL EHHHHHH

Show sample condition

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

LACS Plot; CA

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

Referencing offset: -0.19 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.19 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 1ZG2, Strand ID: A Detail

Release date

2006-04-05

Citation

Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2
Aramini, J.M., Swapna, G.V.T., Xiao, R., Ma, L., Shastry, R., Ciano, M., Acton, T.B., Liu, J., Rost, B., Cort, J.R., Kennedy, M.A., Montelione, G.T.

Related entities 1. Hypothetical UPF0213 protein BH0048, : 1 : 1 : 20 entities Detail

Experiments performed 7 experiments Detail

1 3D 15N-separated NOESY

Instrument

#1 Model Varian INOVA (750 MHz)

#2 Model Bruker AVANCE (500 MHz)

#3 Model Varian INOVA (500 MHz)

#4 Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

2 3D 13C-separated NOESY

Instrument

#1 Model Varian INOVA (750 MHz)

#2 Model Bruker AVANCE (500 MHz)

#3 Model Varian INOVA (500 MHz)

#4 Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

3 HNHA

Instrument

#1 Model Varian INOVA (750 MHz)

#2 Model Bruker AVANCE (500 MHz)

#3 Model Varian INOVA (500 MHz)

#4 Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

4 high resolution CH-HSQC

Instrument

#1 Model Varian INOVA (750 MHz)

#2 Model Bruker AVANCE (500 MHz)

#3 Model Varian INOVA (500 MHz)

#4 Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

5 backbone TR expts

Instrument

#1 Model Varian INOVA (750 MHz)

#2 Model Bruker AVANCE (500 MHz)

#3 Model Varian INOVA (500 MHz)

#4 Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

6 TOCSYs

Instrument

#1 Model Varian INOVA (750 MHz)

#2 Model Bruker AVANCE (500 MHz)

#3 Model Varian INOVA (500 MHz)

#4 Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

7 HCCH COSY

Instrument

#1 Model Varian INOVA (750 MHz)

#2 Model Bruker AVANCE (500 MHz)

#3 Model Varian INOVA (500 MHz)

#4 Model Varian INOVA (600 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	BhR2	[U-13C; U-15N]	0.67 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	BhR2	[U-13C; U-15N]	0.67 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		100 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	BhR2	[U-5% 13C; U-15N]	0.56 mM
17	MES		20 mM
18	NaCl		100 mM
19	CaCl2		5 mM
20	DTT		10 mM
21	NaN3		0.02 %
22	D2O		5 %
23	H2O		95 %

nullKeywords BhR2, NMR structure, Autostructure, Northeast Structural Genomics Consortium, PSI, Protein Structure Initiative, NESG

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Found 1 Document (1.03 seconds)

BMRB: 6717

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Hypothetical UPF0213 protein BH0048, : 1 : 1 : 20 entities Detail

Experiments performed 7 experiments Detail

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