BMRB: 18556

The complex between Ca-Calmodulin and skeletal muscle myosin light chain kinase from combination of NMR and aqueous and contrast-matched SAXS data

Authors

Grishaev, A.V., Anthis, N.J., Clore, G.

Assembly

complex between Ca-Calmodulin and skeletal muscle myosin light chain kinase

Entity

1. Calmodulin (polymer, Thiol state: not present), 148 monomers, 16663.19 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGFI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVTMMTAK

2. ssMLCK (polymer, Thiol state: not present), 26 monomers, 2964.471 Da Detail

KRRWKKNFIA VSAANRFKKI SSSGAL

3. complex between Ca-Calmodulin and skeletal muscle myosin light chain kinase, entity CA (non-polymer), 40.078 × 4 Da

Total weight

19787.973 Da

Max. entity weight

16663.19 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

rigid-body optimization, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.3 %, Completeness: 27.1 %, Completeness (bb): 56.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	27.1 % (332 of 1224)	17.9 % (186 of 1038)	78.5 % (146 of 186)
Backbone	56.4 % (299 of 530)	43.0 % (154 of 358)	84.3 % (145 of 172)
Sidechain	4.8 % (33 of 694)	4.7 % (32 of 680)	7.1 % (1 of 14)
Aromatic	0.0 % (0 of 68)	0.0 % (0 of 67)	0.0 % (0 of 1)
Methyl	6.0 % (5 of 84)	6.0 % (5 of 84)

1. Calmodulin

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGFI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVTMMTAK

2. ssMLCK

KRRWKKNFIA VSAANRFKKI SSSGAL

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-13C; U-15N; U-2H]		0.3 mM
2	ssMLCK	natural abundance		0.3 mM
3	CaCl2	natural abundance		3 mM

Sample #2

Solvent system 65% w/v sucrose/H2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	Calmodulin	[U-13C; U-15N; U-2H]		0.06 ~ 0.25 mM
5	ssMLCK	natural abundance		0.06 ~ 0.25 mM
6	CaCl2	natural abundance		3 mM

Hide sample codition

Protein Blocks Logo

Calculated from 1 models in PDB: 2LV6, Strand ID: A, B Detail

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Release date

2013-01-31

Citation

Contrast-matched small-angle X-ray scattering from a heavy-atom-labeled protein in structure determination: application to a lead-substituted calmodulin-peptide complex
Grishaev, A., Anthis, N.J., Clore, G.
J. Am. Chem. Soc. (2012), 134, 14686-14689, PubMed 22908850 , DOI 10.1021/ja306359z , Abstract

Related entities 1. Calmodulin, : 1 : 1 : 96 entities Detail

Related entities 2. ssMLCK, : 1 : 19 : 1 : 11 entities Detail

Interaction partners 2. ssMLCK, : 3 interactors Detail

Experiments performed 2 experiments Detail