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BMRB: 17881

7L8V

Dynamics of isolated C domain of calmodulin apo form

Authors

Wang, X., Kleerekoper, Q.K., Putkey, J.A.

Assembly

C-CaM apo form

Entity

1. C-CaM apo form (polymer, Thiol state: not present), 71 monomers, 8147.759 Da Detail

DTDSEEEIRE AFRVFDKDGN GYISAAELRH VMTNLGEKLT DEEVDEMIRE ADIDGDGQVN YEEFVQMMTA K

Formula weight

8147.759 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 30.3 %, Completeness (bb): 65.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	30.3 % (148 of 489)	18.6 % (77 of 413)	93.4 % (71 of 76)
Backbone	65.6 % (143 of 218)	49.0 % (72 of 147)	100.0 % (71 of 71)
Sidechain	1.8 % (5 of 271)	1.9 % (5 of 266)	0.0 % (0 of 5)
Aromatic	0.0 % (0 of 25)	0.0 % (0 of 25)
Methyl	6.1 % (2 of 33)	6.1 % (2 of 33)

1. isolcated c domain of calmodulin

DTDSEEEIRE AFRVFDKDGN GYISAAELRH VMTNLGEKLT DEEVDEMIRE ADIDGDGQVN YEEFVQMMTA K

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

Heteronucl. T₁

69 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.3 Detail

Heteronucl. T₂

69 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.3 Detail

Heteronucl. NOE

69 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.3 Detail

Heteronucl. T₁/T₂

69 T₁/T₂ values in 1 lists
Field strength (¹H) 600.13 MHz, Pressure 1 atm, Temperature 298 K, pH 6.3 Detail

Release date

2011-10-09

Citation

Intrinsically disordered PEP-19 confers unique dynamic properties to apo and calcium calmodulin
Wang, X., Kleerekoper, Q.K., Xiong, L., Putkey, J.A.
Biochemistry (2010), 49, 10287-10297, PubMed 20973509 , DOI 10.1021/bi100500m , Abstract

Related entities 1. C-CaM apo form, : 2 : 113 : 4 : 3 : 453 entities Detail

Interaction partners 1. C-CaM apo form, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 T1

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

2 T2

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

3 NOE

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

4 2D 1H-15N HSQC

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

5 3D HNCA

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

6 3D HN(CO)CA

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

7 3D CBCA(CO)NH

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

8 3D HNCACB

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

9 3D HNCO

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

10 3D 1H-15N NOESY

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

11 3D 1H-15N TOCSY

Instrument

Bruker DPX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3, Details apo 15N labeled isolated C-domain of calmodulin(Residues 78-148).

#	Name	Isotope labeling	Type	Concentration
1	isolcated c domain of calmodulin	[U-100% 15N]		0.5 mM
2	EDTA	natural abundance		10 mM
3	potassium chloride	natural abundance		100 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Heteronucl NOE exptl data, Heteronucl T1 relaxation data, Heteronucl T2 relaxation data	bmr17881_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr17881_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	hn_apo_CCaM	OK	142		100.0 (chain: 1, length: 71)
1	Chemical shift references	chemical_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: hn_apo_CCaM
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 71, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 71
  - ¹⁵N chemical shifts: 71
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords assignment, backbone dynamics, calcium binding, calmodulin, PEP-19