BMRB: 7424

Solution structure of CaM complexed to DAPk peptide

Authors

Bertini, I., Luchinat, C., Parigi, G., Yuan, J.

Assembly

calmodulin

Entity

1. calmodulin (polymer, Thiol state: not present), 148 monomers, 16707.20 Da Detail

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

2. CA (non-polymer), 40.078 × 3 Da
3. TB (non-polymer), 158.925 Da

Total weight

16986.36 Da

Max. entity weight

16707.2 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 68.9 %, Completeness: 31.6 %, Completeness (bb): 55.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	31.6 % (526 of 1667)	16.2 % (140 of 865)	44.0 % (284 of 645)	65.0 % (102 of 157)
Backbone	55.4 % (490 of 884)	37.0 % (113 of 305)	63.5 % (275 of 433)	69.9 % (102 of 146)
Sidechain	12.9 % (119 of 920)	4.8 % (27 of 560)	26.4 % (92 of 349)	0.0 % (0 of 11)
Aromatic	0.0 % (0 of 100)	0.0 % (0 of 50)	0.0 % (0 of 50)
Methyl	10.6 % (15 of 142)	7.0 % (5 of 71)	14.1 % (10 of 71)

1. calmodulin

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

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	calmodulin	[U-100% 13C; U-100% 15N]		0.4 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
2	calmodulin	[U-100% 15N]		0.4 mM

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LACS Plot; CA

Referencing offset: 1.45 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	dioxane	methyl carbon	69.46 ppm	external	direct	1.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 1.45 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	dioxane	methyl carbon	69.46 ppm	external	direct	1.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.43 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	dioxane	methyl carbon	69.46 ppm	external	direct	1.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 1 models in PDB: 2K61, Strand ID: A Detail

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RDC

88 RDC values in 1 lists
Field strength (¹H) 700.13 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail

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Pressure 1 atm, Temperature 298 K, pH 7.5

Experiment name IPAP, 2D 1H-15N HSQC

List #1 3CaTbCaM_DAPk_rdc, RDC code na, Field strength (¹H) 700.13 MHz

Release date

2009-04-03

Citation

Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples
Bertini, I., Kursula, P., Luchinat, C., Parigi, G., Vahokoski, J., Wilmanns, M., Yuan, J.
J. Am. Chem. Soc. (2009), 131, 5134-5144, PubMed 19317469 , DOI 10.1021/ja8080764 , Abstract

Related entities 1. calmodulin, : 1 : 2 : 115 : 181 entities Detail

Interaction partners 1. calmodulin, : 1 interactors Detail

Experiments performed 7 experiments Detail