BMRB: 15650

Solution structure of CaM complexed to DRP1p

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 × 4 Da

Total weight

16867.512 Da

Max. entity weight

16707.2 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 98.0 %, Completeness: 48.3 %, Completeness (bb): 82.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	48.3 % (805 of 1667)	26.6 % (230 of 865)	66.5 % (429 of 645)	93.0 % (146 of 157)
Backbone	82.0 % (725 of 884)	54.1 % (165 of 305)	96.1 % (416 of 433)	98.6 % (144 of 146)
Sidechain	22.9 % (211 of 920)	11.4 % (64 of 560)	41.5 % (145 of 349)	18.2 % (2 of 11)
Aromatic	2.0 % (2 of 100)	4.0 % (2 of 50)	0.0 % (0 of 50)
Methyl	23.2 % (33 of 142)	21.1 % (15 of 71)	25.4 % (18 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
2	Hepes			30 mM
3	NaCl			150 mM
4	TCEP			0.5 mM

Sample #2

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

#	Name	Isotope labeling	Type	Concentration
5	calmodulin	[U-100% 15N]		0.4 mM
6	Hepes			30 mM
7	NaCl			150 mM
8	TCEP			0.5 mM

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LACS Plot; CA

Referencing offset: 1.14 ppm, Outliers: 2 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: 1.14 ppm, Outliers: 2 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: 0.16 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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Heteronucl. T₁

110 T₁ values in 1 lists
Coherence Sz, 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 15N relaxation measurement R1

Heteronucl. T₂

110 T₂ values in 1 lists
Coherence S(+,-), 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 15N relaxation measurement R2

Heteronucl. T₁/T₂

110 T₁/T₂ 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

Release date

2009-10-19

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., Yuan, J.
J. Am. Chem. Soc. (2009), 131, 5134-5144, PubMed 19317469 , DOI 10.1021/ja8080764 , Abstract

Entries sharing articles BMRB: 7 entries Detail

Related entities 1. calmodulin, : 1 : 3 : 114 : 181 entities Detail

Interaction partners 1. calmodulin, : 1 interactors Detail

Experiments performed 8 experiments Detail

Chemical shift validation 4 contents Detail