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BMRB: 7417

6O20

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 × 3 Da
3. DY (non-polymer), 162.500 Da

Total weight

16989.934 Da

Max. entity weight

16707.2 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 68.2 %, Completeness: 31.7 %, Completeness (bb): 56.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	31.7 % (529 of 1667)	14.9 % (129 of 865)	46.2 % (298 of 645)	65.0 % (102 of 157)
Backbone	56.3 % (498 of 884)	34.8 % (106 of 305)	67.2 % (291 of 433)	69.2 % (101 of 146)
Sidechain	13.5 % (124 of 920)	4.1 % (23 of 560)	28.7 % (100 of 349)	9.1 % (1 of 11)
Aromatic	0.0 % (0 of 100)	0.0 % (0 of 50)	0.0 % (0 of 50)
Methyl	8.5 % (12 of 142)	2.8 % (2 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	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	Concentration
5	calmodulin	[U-100% 15N]	0.4 mM
6	Hepes		30 mM
7	NaCl		150 mM
8	TCEP		0.5 mM

LACS Plot; CA

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

Referencing offset: 1.33 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 1.33 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.45 ppm, Outliers: 1 Detail

RDC

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

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

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

Interaction partners 1. calmodulin, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC