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Found 1 Document (0.955 seconds)

BMRB: 15603

2K1G

SOLUTION NMR STRUCTURE OF LIPOPROTEIN SPR FROM ESCHERICHIA COLI K12. NORTHEAST STRUCTURAL GENOMICS TARGET ER541-37-162

Authors

Aramini, J.M., Zhao, L., Jiang, M., Maglaqui, M., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Huang, Y.J., Acton, T.B., Rost, B., Montelione, G.T.

Assembly

LIPOPROTEIN SPR

Entity

1. LIPOPROTEIN SPR (polymer, Thiol state: all free), 136 monomers, 15692.46 Da Detail

MNVDVKSRIM DQYADWKGVR YRLGGSTKKG IDCSGFVQRT FREQFGLELP RSTYEQQEMG KSVSRSNLRT GDLVLFRAGS TGRHVGIYIG NNQFVHASTS SGVIISSMNE PYWKKRYNEA RRVLSRSLEH HHHHHH

Formula weight

15692.46 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 95.6 %, Completeness: 92.3 %, Completeness (bb): 93.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.3 % (1476 of 1600)	91.8 % (769 of 838)	92.8 % (570 of 614)	92.6 % (137 of 148)
Backbone	93.6 % (760 of 812)	93.6 % (265 of 283)	94.2 % (372 of 395)	91.8 % (123 of 134)
Sidechain	91.3 % (832 of 911)	90.8 % (504 of 555)	91.8 % (314 of 342)	100.0 % (14 of 14)
Aromatic	75.9 % (120 of 158)	77.2 % (61 of 79)	74.0 % (57 of 77)	100.0 % (2 of 2)
Methyl	100.0 % (116 of 116)	100.0 % (58 of 58)	100.0 % (58 of 58)

1. ER541-37-162

MNVDVKSRIM DQYADWKGVR YRLGGSTKKG IDCSGFVQRT FREQFGLELP RSTYEQQEMG KSVSRSNLRT GDLVLFRAGS TGRHVGIYIG NNQFVHASTS SGVIISSMNE PYWKKRYNEA RRVLSRSLEH HHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	10 mM
11	calcium chloride	natural abundance	5 mM
12	sodium azide	natural abundance	0.02 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	ER541-37-162	[U-5% 13C; U-100% 15N]	1.03 mM
14	MES	natural abundance	20 mM
15	sodium chloride	natural abundance	100 mM
16	DTT	natural abundance	10 mM
17	calcium chloride	natural abundance	5 mM
18	sodium azide	natural abundance	0.02 %

LACS Plot; CA

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

Referencing offset: -0.19 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.19 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.04 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K1G, Strand ID: A Detail

Release date

2008-03-03

Citation

Solution NMR structure of the NlpC/P60 domain of lipoprotein Spr from Escherichia coli: structural evidence for a novel cysteine peptidase catalytic triad
Aramini, J.M., Rossi, P., Huang, Y.J., Zhao, L., Jiang, M., Maglaqui, M., Xiao, R., Locke, J., Nair, R., Rost, B., Acton, T.B., Inouye, M., Montelione, G.T.
Biochemistry (2008), 47, 9715-9717, PubMed 18715016 , DOI 10.1021/bi8010779 , Abstract

Related entities 1. LIPOPROTEIN SPR, : 1 : 5 : 19 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

2 2D 1H-13C HSQC (aliph)

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

3 3D HNCO

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

4 3D HN(CA)CO

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

5 3D HN(CO)CACB

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

6 3D HNCACB

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

8 3D HCCH-COSY

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

9 3D simultaneous CN NOESY

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

10 3D CCH-TOCSY aromatic

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

11 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	10 mM
11	calcium chloride	natural abundance	5 mM
12	sodium azide	natural abundance	0.02 %

12 3D simultaneous CN NOESY

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	10 mM
11	calcium chloride	natural abundance	5 mM
12	sodium azide	natural abundance	0.02 %

13 3D CCcoNH TOCSY

Instrument

Varian INOVA - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

14 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

15 3D CCH-TOCSY aliphatic

Instrument

Varian INOVA - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

16 HNHA

Instrument

Varian INOVA - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

17 2D 1H-13C high res. (L/V stereospecific assignment) (aliph)

Instrument

Varian INOVA - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	ER541-37-162	[U-5% 13C; U-100% 15N]	1.03 mM
14	MES	natural abundance	20 mM
15	sodium chloride	natural abundance	100 mM
16	DTT	natural abundance	10 mM
17	calcium chloride	natural abundance	5 mM
18	sodium azide	natural abundance	0.02 %

18 2D 1H-15N hetNOE

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	ER541-37-162	[U-5% 13C; U-100% 15N]	1.03 mM
14	MES	natural abundance	20 mM
15	sodium chloride	natural abundance	100 mM
16	DTT	natural abundance	10 mM
17	calcium chloride	natural abundance	5 mM
18	sodium azide	natural abundance	0.02 %

19 2D 1H-13C high res. (L/V stereospecific assignment) (arom)

Instrument

Varian INOVA - 600 MHz HCN cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	ER541-37-162	[U-5% 13C; U-100% 15N]	1.03 mM
14	MES	natural abundance	20 mM
15	sodium chloride	natural abundance	100 mM
16	DTT	natural abundance	10 mM
17	calcium chloride	natural abundance	5 mM
18	sodium azide	natural abundance	0.02 %

20 2D 1H-13C HSQC (arom)

Instrument

Bruker Avance - 800 MHz TXI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ER541-37-162	[U-100% 13C; U-100% 15N]	1.07 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	10 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

nullKeywords construct optimized, lipoprotein, soultion NMR structure

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Found 1 Document (0.955 seconds)

BMRB: 15603

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. LIPOPROTEIN SPR, : 1 : 5 : 19 entities Detail

Experiments performed 20 experiments Detail

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