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Found 1 Document (0.994 seconds)

BMRB: 16652

2KRX

Solution NMR Structure of asl3597 from Nostoc sp. PCC7120. Northeast Structural Genomics Consortium Target ID Nsr244.

Authors

Feldmann, E.A., Ramelot, T.A., Yang, Y., Lee, D.K., Ciccosanti, C., Janjua, H.A., Liu, J., Rost, B., Acton, T., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

asl3597

Entity

1. asl3597 (polymer, Thiol state: all free), 94 monomers, 10974.33 Da Detail

MPDPLMYQQD NFVVLETNQP EQFLTTIELL EKLKGELEKI SFSDLPLELQ KLDSLPAQAQ HLIDTSCELD VGAGKYLQWY AVRLEKLEHH HHHH

Formula weight

10974.33 Da

Source organism

Nostoc sp. PCC 7120 = FACHB-418

Exptl. method

solution NMR

Refine. method

simulated annealing, simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 88.3 %, Completeness: 83.4 %, Completeness (bb): 83.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.4 % (957 of 1147)	84.6 % (506 of 598)	82.6 % (371 of 449)	80.0 % (80 of 100)
Backbone	83.6 % (463 of 554)	85.5 % (159 of 186)	82.8 % (231 of 279)	82.0 % (73 of 89)
Sidechain	83.6 % (572 of 684)	84.2 % (347 of 412)	83.5 % (218 of 261)	63.6 % (7 of 11)
Aromatic	61.7 % (58 of 94)	61.7 % (29 of 47)	63.0 % (29 of 46)	0.0 % (0 of 1)
Methyl	96.4 % (108 of 112)	96.4 % (54 of 56)	96.4 % (54 of 56)

1. asl3597

MPDPLMYQQD NFVVLETNQP EQFLTTIELL EKLKGELEKI SFSDLPLELQ KLDSLPAQAQ HLIDTSCELD VGAGKYLQWY AVRLEKLEHH HHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	entity	[U-5% 13C; U-100% 15N]	1.1 (±0.1) mM
8	MES	natural abundance	20 (±0.1) mM
9	sodium chloride	natural abundance	200 (±5.0) mM
10	DTT	natural abundance	10 (±0.5) mM
11	calcium chloride	natural abundance	5 (±0.2) mM
12	sodium azide	natural abundance	0.02 (±0.001) %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	entity	[U-100% 13C; U-100% 15N]	1.0 (±0.1) mM
14	MES	natural abundance	20 (±0.1) mM
15	sodium chloride	natural abundance	200 (±5.0) mM
16	DTT	natural abundance	10 (±0.5) mM
17	calcium chloride	natural abundance	5 (±0.2) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

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: -0.13 ppm, Outliers: 3 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: -0.13 ppm, Outliers: 3 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: -0.05 ppm, Outliers: 1 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: 0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-11-08

Citation

Solution NMR structure of asl3597 from Nostoc sp. PCC7120. Northeast Structural Genomics Consortium target NsR244
Feldmann, E.A., Ramelot, T.A., Yang, Y., Lee, D., Ciccosanti, C., Janjua, H., Liu, J., Rost, B.K., Swapna, T., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.
Not known

Related entities 1. asl3597, : 1 : 6 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

2 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

3 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	entity	[U-5% 13C; U-100% 15N]	1.1 (±0.1) mM
8	MES	natural abundance	20 (±0.1) mM
9	sodium chloride	natural abundance	200 (±5.0) mM
10	DTT	natural abundance	10 (±0.5) mM
11	calcium chloride	natural abundance	5 (±0.2) mM
12	sodium azide	natural abundance	0.02 (±0.001) %

4 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

5 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

6 3D 1H-13C NOESY

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

7 4D CC NOESY

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	entity	[U-100% 13C; U-100% 15N]	1.0 (±0.1) mM
14	MES	natural abundance	20 (±0.1) mM
15	sodium chloride	natural abundance	200 (±5.0) mM
16	DTT	natural abundance	10 (±0.5) mM
17	calcium chloride	natural abundance	5 (±0.2) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

8 3D HNCO

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

9 3D HNCA

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

10 3D HNCACB

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

11 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

12 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

13 3D H(C)CH-TOCSY

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

14 3D (H)CCH-TOCSY

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

15 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

16 3D H(C)CH COSY

Instrument

Varian INOVA - 600 MHz cold probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.1 (±0.1) mM
2	MES	natural abundance	20 (±0.1) mM
3	sodium chloride	natural abundance	200 (±5.0) mM
4	DTT	natural abundance	10 (±0.5) mM
5	calcium chloride	natural abundance	5 (±0.2) mM
6	sodium azide	natural abundance	0.02 (±0.001) %

nullKeywords alpha, beta

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Found 1 Document (0.994 seconds)

BMRB: 16652

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. asl3597, : 1 : 6 entities Detail

Experiments performed 16 experiments Detail

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