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BMRB: 34226

6FEH

Solution Structure of CaM/Kv7.2-hAB Complex

Authors

Bernardo-Seisdedos, G., Villarroel, A., Millet, O.

Assembly

CaM/Kv7.2-hAB Complex

Entity

1. CaM/Kv7.2-hAB Complex, entity 1 (polymer, Thiol state: all free), 115 monomers, 13575.34 Da Detail

MSYYHHHHHH DYDIPTTENL YFQGAMGILG SGQKHFEKRR NPAAGLIQSA WRFYATNLSR TDLHSTWQYY ERTVTVPMYR GLEDLTPGLK VSIRAVCVMR FLVSKRKFKE SLRLD

2. CaM/Kv7.2-hAB Complex, entity 2 (polymer, Thiol state: not present), 149 monomers, 16837.41 Da Detail

MADQLTEEQI AEFKEAFSLF DKDGDGTITT KELGTVMRSL GQNPTEAELQ DMINEVDADG NGTIDFPEFL TMMARKMKDT DSEEEIREAF RVFDKDGNGY ISAAELRHVM TNLGEKLTDE EVDEMIREAD IDGDGQVNYE EFVQMMTAK

3. CaM/Kv7.2-hAB Complex, entity CA (non-polymer), 40.078 × 4 Da

Total weight

30573.062 Da

Max. entity weight

16837.41 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.0 %, Completeness: 85.5 %, Completeness (bb): 94.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.5 % (2630 of 3077)	86.5 % (1383 of 1599)	83.7 % (1004 of 1199)	87.1 % (243 of 279)
Backbone	94.5 % (1486 of 1572)	94.3 % (509 of 540)	95.1 % (736 of 774)	93.4 % (241 of 258)
Sidechain	78.7 % (1378 of 1751)	82.5 % (874 of 1059)	74.8 % (502 of 671)	9.5 % (2 of 21)
Aromatic	36.3 % (98 of 270)	68.9 % (93 of 135)	3.8 % (5 of 133)	0.0 % (0 of 2)
Methyl	89.8 % (228 of 254)	91.3 % (116 of 127)	88.2 % (112 of 127)

1. entity 1

MSYYHHHHHH DYDIPTTENL YFQGAMGILG SGQKHFEKRR NPAAGLIQSA WRFYATNLSR TDLHSTWQYY ERTVTVPMYR GLEDLTPGLK VSIRAVCVMR FLVSKRKFKE SLRLD

2. entity 2

MADQLTEEQI AEFKEAFSLF DKDGDGTITT KELGTVMRSL GQNPTEAELQ DMINEVDADG NGTIDFPEFL TMMARKMKDT DSEEEIREAF RVFDKDGNGY ISAAELRHVM TNLGEKLTDE EVDEMIREAD IDGDGQVNYE EFVQMMTAK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 1 mM [U-100% 13C; U-100% 15N; U-50% 2H] Kv7.2-hAB, 1 mM [U-100% 13C; U-100% 15N; U-50% 2H] Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 500 uM [U-100% 13C; U-100% 15N] Kv7.2-hAB, 500 uM Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 250 uM [U-100% 15N] Kv7.2-hAB, 250 uM [U-100% 15N] Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
15	Kv7.2-hAB	[U-100% 15N]	250 uM
16	Calmodulin	[U-100% 15N]	250 uM
17	potassium chloride	natural abundance	120 mM
18	MES	natural abundance	20 mM
19	CaCl2	natural abundance	5 mM
20	sodium azide	natural abundance	2 uM
21	DSS	[U-2H]	200 uM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6FEH, Strand ID: A, B Detail

Release date

2018-02-14

Citation

Structural basis and energy landscape for the Ca²⁺ gating and calmodulation of the Kv7.2 K⁺ channel
Bernardo-Seisdedos, G., Nunez-Viadero, E., Gomis-Perez, C., Malo, C., Villarroel, A., Millet, O.
Proc. Natl. Acad. Sci. U. S. A. (2018), 115, 2395-2400, PubMed 29463698 , DOI 10.1073/pnas.1800235115 , Abstract

Related entities 1. CaM/Kv7.2-hAB Complex, entity 1, : 1 : 1 : 5 entities Detail

Related entities 2. CaM/Kv7.2-hAB Complex, entity 2, : 10 : 1 : 88 entities Detail

Experiments performed 30 experiments Detail

1 2D 1H-15N TROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 1 mM [U-100% 13C; U-100% 15N; U-50% 2H] Kv7.2-hAB, 1 mM [U-100% 13C; U-100% 15N; U-50% 2H] Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

2 2D 1H-13C TROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

3 3D HNCACB

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

4 3D HNCA

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

5 3D HNCO

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

6 3D HN(CA)HA

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

7 3D HN(COCA)HA

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

8 3D HN(CA)CO

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

9 3D H(CCO)NH

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

10 3D HNC(CCO)NH

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

11 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

12 3D 1H-13C NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

13 2D 1H-15N TROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 500 uM [U-100% 13C; U-100% 15N] Kv7.2-hAB, 500 uM Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

14 2D 1H-13C TROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

15 3D HNCA

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

16 3D HNCACB

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

17 3D HNCO

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

18 3D HN(CA)CO

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

19 3D HN(CA)HA

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

20 3D HN(COCA)HA

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

21 3D H(CCO)NH

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

22 3D HNC(CCO)NH

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

23 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

24 3D 1H-13C NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

25 2D 1H-15N TROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 250 uM [U-100% 15N] Kv7.2-hAB, 250 uM [U-100% 15N] Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
15	Kv7.2-hAB	[U-100% 15N]	250 uM
16	Calmodulin	[U-100% 15N]	250 uM
17	potassium chloride	natural abundance	120 mM
18	MES	natural abundance	20 mM
19	CaCl2	natural abundance	5 mM
20	sodium azide	natural abundance	2 uM
21	DSS	[U-2H]	200 uM

26 2D 1H-15N semiTROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
15	Kv7.2-hAB	[U-100% 15N]	250 uM
16	Calmodulin	[U-100% 15N]	250 uM
17	potassium chloride	natural abundance	120 mM
18	MES	natural abundance	20 mM
19	CaCl2	natural abundance	5 mM
20	sodium azide	natural abundance	2 uM
21	DSS	[U-2H]	200 uM

27 2D 1H-15N TROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 250 uM [U-100% 15N] Kv7.2-hAB, 250 uM [U-100% 15N] Calmodulin, 120 mM potassium chloride, 20 mM MES, 5 mM CaCl2, 2 uM sodium azide, 200 uM [U-2H] DSS, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
15	Kv7.2-hAB	[U-100% 15N]	250 uM
16	Calmodulin	[U-100% 15N]	250 uM
17	potassium chloride	natural abundance	120 mM
18	MES	natural abundance	20 mM
19	CaCl2	natural abundance	5 mM
20	sodium azide	natural abundance	2 uM
21	DSS	[U-2H]	200 uM

28 2D 1H-15N semiTROSY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
15	Kv7.2-hAB	[U-100% 15N]	250 uM
16	Calmodulin	[U-100% 15N]	250 uM
17	potassium chloride	natural abundance	120 mM
18	MES	natural abundance	20 mM
19	CaCl2	natural abundance	5 mM
20	sodium azide	natural abundance	2 uM
21	DSS	[U-2H]	200 uM

29 2D 1H-15N TROSY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Kv7.2-hAB	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
2	Calmodulin	[U-100% 13C; U-100% 15N; U-50% 2H]	1 mM
3	potassium chloride	natural abundance	120 mM
4	MES	natural abundance	20 mM
5	CaCl2	natural abundance	5 mM
6	sodium azide	natural abundance	2 uM
7	DSS	[U-2H]	200 uM

30 2D 1H-15N TROSY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
8	Kv7.2-hAB	[U-100% 13C; U-100% 15N]	500 uM
9	Calmodulin	natural abundance	500 uM
10	potassium chloride	natural abundance	120 mM
11	MES	natural abundance	20 mM
12	CaCl2	natural abundance	5 mM
13	sodium azide	natural abundance	2 uM
14	DSS	[U-2H]	200 uM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_34226_6feh.nef
Input source #2: Coordindates	6feh.cif
Diamagnetism of the molecular assembly	False (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
2:21:ASP:OD1	3:1:CA:CA	unknown	unknown	n/a
2:23:ASP:OD1	3:1:CA:CA	unknown	unknown	n/a
2:25:ASP:OD1	3:1:CA:CA	unknown	unknown	n/a
2:27:THR:O	3:1:CA:CA	unknown	unknown	n/a
2:32:GLU:OE1	3:1:CA:CA	unknown	unknown	n/a
2:32:GLU:OE2	3:1:CA:CA	unknown	unknown	n/a
2:57:ASP:OD1	3:2:CA:CA	unknown	unknown	n/a
2:57:ASP:OD2	3:2:CA:CA	unknown	unknown	n/a
2:61:ASN:OD1	3:2:CA:CA	unknown	unknown	n/a
2:68:GLU:OE1	3:2:CA:CA	unknown	unknown	n/a
2:68:GLU:OE2	3:2:CA:CA	unknown	unknown	n/a
2:94:ASP:OD1	3:3:CA:CA	unknown	unknown	n/a
2:94:ASP:OD2	3:3:CA:CA	unknown	unknown	n/a
2:96:ASP:OD1	3:3:CA:CA	unknown	unknown	n/a
2:96:ASP:OD2	3:3:CA:CA	unknown	unknown	n/a
2:100:TYR:O	3:3:CA:CA	unknown	unknown	n/a
2:132:ASP:OD2	3:4:CA:CA	unknown	unknown	n/a
2:134:ASP:OD1	3:4:CA:CA	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	319	.	Not matched with CCD	None
A	386	.	Not matched with CCD	None
A	389	.	Not matched with CCD	None
A	375	.	Not matched with CCD	None
A	545	.	Not matched with CCD	None
A	378	.	Not matched with CCD	None
A	381	.	Not matched with CCD	None
A	534	.	Not matched with CCD	None
A	320	.	Not matched with CCD	None
A	537	.	Not matched with CCD	None
A	540	.	Not matched with CCD	None
A	323	.	Not matched with CCD	None
A	390	.	Not matched with CCD	None
A	546	.	Not matched with CCD	None
A	379	.	Not matched with CCD	None
A	382	.	Not matched with CCD	None
A	535	.	Not matched with CCD	None
A	321	.	Not matched with CCD	None
A	538	.	Not matched with CCD	None
A	324	.	Not matched with CCD	None
A	541	.	Not matched with CCD	None
A	316	.	Not matched with CCD	None
A	391	.	Not matched with CCD	None
A	383	.	Not matched with CCD	None
A	322	.	Not matched with CCD	None
A	539	.	Not matched with CCD	None
A	325	.	Not matched with CCD	None
A	542	.	Not matched with CCD	None
A	317	.	Not matched with CCD	None
A	384	.	Not matched with CCD	None
A	376	.	Not matched with CCD	None
A	387	.	Not matched with CCD	None
A	543	.	Not matched with CCD	None
A	318	.	Not matched with CCD	None
A	385	.	Not matched with CCD	None
A	388	.	Not matched with CCD	None
A	374	.	Not matched with CCD	None
A	544	.	Not matched with CCD	None
A	377	.	Not matched with CCD	None
A	380	.	Not matched with CCD	None
A	533	.	Not matched with CCD	None
A	536	.	Not matched with CCD	None
A	547	.	Not matched with CCD	None
C	1	CA	CALCIUM ION	None
C	2	CA	CALCIUM ION	None
C	3	CA	CALCIUM ION	None
C	4	CA	CALCIUM ION	None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

---------------------------------------------                                                       
...........................................MS                                                       
                                           ||                                                       
-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-.-M-Y-H-H-H-D-D-P-T-N-Y-Q-A-G-L-S-Q-H-E-R-N-AAGLIQSAWRFYATN
 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ---------10----

                                                          
                                                          
                                                          
LSRTDLHSTWQYYERTVTVPMYRGLEDLTPGLKVSIRAVCVMRFLVSKRKFKESLRLD
----20--------30--------40--------50--------60--------70--

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10
MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGY
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGY
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

0-------110-------120-------130-------140--------
ISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
|||||||||||||||||||||||||||||||||||||||||||||||||
ISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
-------110-------120-------130-------140---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	115	43	0	100.0
B	B	149	0	0	100.0

Content subtype: combined_34226_6feh.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	Warning	18		No information
1	Assigned chemical shifts	assigned_chemical_shifts_1	Error	2596		66.5 (chain: A, length: 158), 99.3 (chain: B, length: 149)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Error	5343 (1)	noe	65.8 (chain: A, length: 158), 98.7 (chain: B, length: 149)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	244 (244)	.	94.0 (chain: B, length: 149)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_4	OK	83 (83)	.	55.7 (chain: B, length: 149)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Error
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 158, Sequence coverage: 66.5%
  - Entity_assembly_ID: B, Chain length: 149, Sequence coverage: 99.3%
- Total number of assignments
  - ¹³C chemical shifts: 991
  - ¹H chemical shifts: 1366
  - ¹⁵N chemical shifts: 239
- Completeness of assignments
  - Entity_assemble_ID: B
- Redox state of CYS
- Peptide bond of PRO
- 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: A
  - Chain_ID: B

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
28	THR	HG1	5.718

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	650	580	89.2
¹H chemical shifts	874	811	92.8
¹⁵N chemical shifts	165	142	86.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	298	293	98.3
¹H chemical shifts	307	300	97.7
¹⁵N chemical shifts	147	142	96.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	352	287	81.5
¹H chemical shifts	567	511	90.1
¹⁵N chemical shifts	18	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	81	76	93.8
¹H chemical shifts	81	76	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	50	0	0.0
¹H chemical shifts	50	46	92.0

Covalent bonds

Saveframe: assembly
- Status: Warning

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Error
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 158, Sequence coverage: 65.8%
  - Entity_assembly_ID: B, Chain length: 149, Sequence coverage: 98.7%
- Total number of restraints: 5341
- Weight of restraints: 1.0 (5341)
- Potential type of restraints: square-well-parabolic (5341)
- Range of distance target values: 1.29, 11.4 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
    None
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 149, Sequence coverage: 94.0%
- Total number of restraints: 244
- Total number of restraints per polymer type: 244
- Weight of restraints: 1.0 (244)
- Potential type of restraints: square-well-parabolic (244)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: B

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_4

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: B, Chain length: 149, Sequence coverage: 55.7%

0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10
MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGY
       |||||||||||||||        ||||||||||      ||||||||||            |||||||||       | ||||||||      
.......EQIAEFKEAFSLFDK........KELGTVMRSL......AELQDMINEV............FLTMMARKM.......E.REAFRVFD......
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10

0-------110-------120-------130-------140--------
ISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
   |||||||||||     |||||||||||         ||||||||  
...AELRHVMTNLG.....EEVDEMIREAD.........EEFVQMMT  
0-------110-------120-------130-------140------

Total number of restraints: 83
Potential type of restraints: undefined (83)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: B
  None

Keywords Calcium-signalling, Calmodulin, Complex, Transport, Voltage-gated potassium channel, metal transport

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Found 1 Document (1.045 seconds)

BMRB: 34226

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CaM/Kv7.2-hAB Complex, entity 1, : 1 : 1 : 5 entities Detail

Related entities 2. CaM/Kv7.2-hAB Complex, entity 2, : 10 : 1 : 88 entities Detail

Experiments performed 30 experiments Detail

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