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BMRB: 11440

2RRT

Solution structure of Magnesium-bound form of calmodulin C-domain E104D/E140D mutant

Authors

Assembly

Mg(2+) -bound form of calmodulin C-terminal domain

Entity

1. Mg(2+) -bound form of calmodulin C-terminal domain (polymer, Thiol state: not present), 72 monomers, 8250.903 Da Detail

MDTDSEEEIR EAFRVFDKDG NGYISAADLR HVMTNLGEKL TDEEVDEMIR EADIDGDGQV NYEDFVQMMT AK

Formula weight

8250.903 Da

Source organism

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.1 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.1 % (756 of 803)	94.0 % (391 of 416)	96.1 % (298 of 310)	87.0 % (67 of 77)
Backbone	94.7 % (409 of 432)	96.0 % (143 of 149)	94.8 % (200 of 211)	91.7 % (66 of 72)
Sidechain	94.5 % (414 of 438)	92.9 % (248 of 267)	99.4 % (165 of 166)	20.0 % (1 of 5)
Aromatic	100.0 % (50 of 50)	100.0 % (25 of 25)	100.0 % (25 of 25)
Methyl	100.0 % (66 of 66)	100.0 % (33 of 33)	100.0 % (33 of 33)

1. entity

MDTDSEEEIR EAFRVFDKDG NGYISAADLR HVMTNLGEKL TDEEVDEMIR EADIDGDGQV NYEDFVQMMT AK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: 0.33 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 0.33 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.23 ppm, Outliers: 3 Detail

LACS Plot; CO

Referencing offset: -0.34 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-08-18

Citation

Solution structure and fluctuation of the Mg(2+)-bound form of calmodulin C-terminal domain
Ohashi, W., Hirota, H., Yamazaki, T.
Protein Sci. (2011), 20, 690-701, PubMed 21312310 , DOI 10.1002/pro.598 , Abstract

Related entities 1. Mg(2+) -bound form of calmodulin C-terminal domain, : 1 : 573 entities Detail

Interaction partners 1. Mg(2+) -bound form of calmodulin C-terminal domain, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

2 3D 1H-13C NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

3 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

4 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

5 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

6 3D C(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

7 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

8 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

9 3D HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

10 3D HBHA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

11 3D HN(CO)CA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

12 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

13 3D HCCH-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

14 3D H(CCO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	MES	[U-2H]		10 mM
2	potassium chloride	natural abundance		100 mM
3	magnesium chloride	natural abundance		100 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

nullKeywords calcium, calmodulin, EF-hand, magnesium