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BMRB: 5227

1CDL

Dissection of the Pathway of Molecular Recognition by Calmodulin

Authors

Kranz, J.K., Flynn, P.F., Fuentes, E.J., Wand, A.JOSHUA.

Assembly

smMLCK:CaM complex

Entity

1. Calmodulin recognition element from smooth muscle myosin light chain kinase (polymer, Thiol state: not present), 21 monomers, 2335.673 Da Detail

GSARRKWQKT GHAVRAIGRL S

2. calmodulin (chicken) (polymer, Thiol state: not present), 148 monomers, 16706.21 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

Total weight

19041.885 Da

Max. entity weight

16706.21 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 14.8 %, Completeness: 12.2 %, Completeness (bb): 13.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	12.2 % (234 of 1913)	11.9 % (119 of 996)	12.4 % (91 of 736)	13.3 % (24 of 181)
Backbone	13.3 % (134 of 1010)	12.9 % (45 of 350)	13.6 % (67 of 493)	13.2 % (22 of 167)
Sidechain	11.4 % (121 of 1058)	11.5 % (74 of 646)	11.3 % (45 of 398)	14.3 % (2 of 14)
Aromatic	1.7 % (2 of 116)	1.7 % (1 of 58)	0.0 % (0 of 57)	100.0 % (1 of 1)
Methyl	13.0 % (21 of 162)	12.3 % (10 of 81)	13.6 % (11 of 81)

1. Calmodulin recognition element from smooth muscle myosin light chain kinase

GSARRKWQKT GHAVRAIGRL S

2. calmodulin (chicken)

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

Show sample condition

Sample

Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

Release date

2002-06-12

Citation

Dissection of the pathway of molecular recognition by calmodulin
Kranz, J.K., Flynn, P.F., Fuentes, E.J., Wand, A.JOSHUA.
Biochemistry (2002), 41, 2599-2608, PubMed 11851407 , DOI: , Abstract

Related entities 1. Calmodulin recognition element from smooth muscle myosin light chain kinase, : 1 : 7 : 40 entities Detail

Related entities 2. calmodulin (chicken), : 11 : 88 entities Detail

Interaction partners 1. Calmodulin recognition element from smooth muscle myosin light chain kinase, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 10 experiments Detail

1 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

2 1H-13C CT-HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

3 CBCA(CO)NH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

4 HNCACB

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

5 HNCO

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

6 HN(CA)CO

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

7 HBHACONH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

8 HCCHTOCSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

9 CH3-filtered (1H13C13C) HCCHTOCSY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

10 CCC TOCSY NNH

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Temperature 303 (±1.5) K

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin recognition element from smooth muscle myosin light chain kinase	[U-99% 13C; U-99% 15N]		2.00 mM
2	calmodulin (chicken)			2.25 mM
3	CaCl2			20 mM
4	KCl			100 mM
5	Bis-tris			20 mM
6	NaN3			0.02 %
7	D2O			7 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5227_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: bmr5227_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	247		100.0 (chain: 1, length: 21)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 21, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 135
  - ¹³C chemical shifts: 87
  - ¹⁵N chemical shifts: 25
- Completeness of assignments
  - Entity_assemble_ID: 1
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1