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Found 1 Document (7.98 seconds)

BMRB: 19816

2MLE

NMR structure of the C-domain of troponin C bound to the anchoring region of troponin I

Authors

Robertson, I.M., Baryshnikova, O.K., Mercier, P., Sykes, B.D.

Assembly

C-domain of troponin C bound to the anchoring region of troponin I

Entity

1. cCTnC (polymer, Thiol state: not present), 72 monomers, 8361.135 Da Detail

MGKSEEELSD LFRMFDKNAD GYIDLDELKI MLQATGETIT EDDIEELMKD GDKNNDGRID YDEFLEFMKG VE

2. CALCIUM ION (non-polymer), 40.078 × 2 Da

Total weight

8441.291 Da

Max. entity weight

8361.135 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 73.6 %, Completeness (bb): 80.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.6 % (616 of 837)	75.6 % (331 of 438)	66.6 % (215 of 323)	92.1 % (70 of 76)
Backbone	80.8 % (349 of 432)	94.0 % (141 of 150)	65.7 % (138 of 210)	97.2 % (70 of 72)
Sidechain	70.3 % (331 of 471)	66.0 % (190 of 288)	78.8 % (141 of 179)	0.0 % (0 of 4)
Aromatic	21.4 % (12 of 56)	42.9 % (12 of 28)	0.0 % (0 of 28)
Methyl	93.5 % (58 of 62)	93.5 % (29 of 31)	93.5 % (29 of 31)

1. cCTnC

MGKSEEELSD LFRMFDKNAD GYIDLDELKI MLQATGETIT EDDIEELMKD GDKNNDGRID YDEFLEFMKG VE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
10	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
11	Calcium	natural abundance	2 mM
12	DSS	natural abundance	0.2 mM
13	potassium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	5 mM
15	imidazole	natural abundance	0.5 mM
16	troponin I(34-71)	natural abundance	1.2 mM
17	imidazole	[U-2H]	9.5 mM
18	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: -0.14 ppm, Outliers: 1 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
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 1 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
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MLE, Strand ID: C Detail

Release date

2014-03-09

Citation

The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I
Baryshnikova, O.K., Robertson, I.M., Mercier, P., Sykes, B.D.
Biochemistry (2008), 47, 10950-10960, PubMed 18803402 , DOI 10.1021/bi801165c , Abstract

Related entities 1. cCTnC, : 1 : 2 : 12 : 516 entities Detail

Interaction partners 1. cCTnC, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

2 2D DQF-COSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
10	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
11	Calcium	natural abundance	2 mM
12	DSS	natural abundance	0.2 mM
13	potassium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	5 mM
15	imidazole	natural abundance	0.5 mM
16	troponin I(34-71)	natural abundance	1.2 mM
17	imidazole	[U-2H]	9.5 mM
18	D2O	natural abundance	100 %

3 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
10	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
11	Calcium	natural abundance	2 mM
12	DSS	natural abundance	0.2 mM
13	potassium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	5 mM
15	imidazole	natural abundance	0.5 mM
16	troponin I(34-71)	natural abundance	1.2 mM
17	imidazole	[U-2H]	9.5 mM
18	D2O	natural abundance	100 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

5 3D C(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

6 3D HNCACB

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

7 3D H(CCO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

9 3D HNHA

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

10 3D HNHB

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

11 3D 1H-15N NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

12 3D 1H-15N TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

13 3D 1H-13C NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

14 2D 13C,15N Filtered NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

15 2D 13C,15N Filtered TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

16 3D 13C Edited, Filtered NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
1	cCTnC	[U-95% 13C; U-95% 15N]	0.5 mM
2	Calcium	natural abundance	2 mM
3	DSS	natural abundance	0.2 mM
4	potassium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	5 mM
6	imidazole	natural abundance	10 mM
7	troponin I(34-71)	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

nullKeywords troponin C, metal binding protein, troponin I, EF-hand

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Found 1 Document (7.98 seconds)

BMRB: 19816

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. cCTnC, : 1 : 2 : 12 : 516 entities Detail

Interaction partners 1. cCTnC, : 8 interactors Detail

Experiments performed 16 experiments Detail

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