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BMRB: 16957

2KYH

Solution structure of the voltage-sensing domain of KvAP

Authors

Butterwick, J.A., MacKinnon, R.

Assembly

KvAP

Entity

1. KvAP (polymer, Thiol state: not present), 147 monomers, 16179.13 Da Detail

LRGLSDLGGR VRNIGDVMEH PLVELGVSYA ALLSVIVVVV EYTMQLSGEY LVRLYLVDLI LVIILWADYA YRAYKSGDPA GYVKKTLYEI PALVPAGLLA LIEGHLAGLG LFRLVRLLRF LRILLIISRG SKFLSAIADA ADKLVPR

Formula weight

16179.13 Da

Source organism

Aeropyrum pernix

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 96.6 %, Completeness: 49.9 %, Completeness (bb): 75.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	49.9 % (864 of 1733)	36.7 % (325 of 885)	56.9 % (400 of 703)	95.9 % (139 of 145)
Backbone	75.3 % (657 of 872)	59.6 % (180 of 302)	79.7 % (341 of 428)	95.8 % (136 of 142)
Sidechain	29.6 % (295 of 995)	24.9 % (145 of 583)	35.9 % (147 of 409)	100.0 % (3 of 3)
Aromatic	6.6 % (8 of 122)	8.2 % (5 of 61)	3.3 % (2 of 60)	100.0 % (1 of 1)
Methyl	31.9 % (83 of 260)	30.8 % (40 of 130)	33.1 % (43 of 130)

1. KvAP

LRGLSDLGGR VRNIGDVMEH PLVELGVSYA ALLSVIVVVV EYTMQLSGEY LVRLYLVDLI LVIILWADYA YRAYKSGDPA GYVKKTLYEI PALVPAGLLA LIEGHLAGLG LFRLVRLLRF LRILLIISRG SKFLSAIADA ADKLVPR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
2	HEPES	natural abundance	20 mM
3	potassium chloride	natural abundance	20 mM
4	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
8	HEPES	natural abundance	20 mM
9	potassium chloride	natural abundance	20 mM
10	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
11	D2O	natural abundance	99 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

Sample #4

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	KvAP	[U-98% 13C; U-98% 15N]	0.1 ~ 0.5 mM
19	HEPES	natural abundance	20 mM
20	potassium chloride	natural abundance	20 mM
21	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
22	D2O	natural abundance	99 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	KvAP	[13CH3/12CD2]-Leu,Val;[13CH3]-Ile	0.1 ~ 0.5 mM
24	HEPES	natural abundance	20 mM
25	potassium chloride	natural abundance	20 mM
26	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
27	H2O	natural abundance	90 %
28	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	KvAP	[U-98% 13C; U-98% 15N]-Arg	0.3 ~ 0.3 mM
30	HEPES	natural abundance	20 mM
31	potassium chloride	natural abundance	20 mM
32	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

Sample #7

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

Sample #8

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

Sample #9

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
47	KvAP	[U-10% 13C]	0.3 ~ 0.3 mM
48	HEPES	natural abundance	20 mM
49	potassium chloride	natural abundance	20 mM
50	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
51	D2O	natural abundance	99 %

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 66.7 %, Completeness (bb): 78.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	66.7 % (2311 of 3466)	64.3 % (1138 of 1770)	63.5 % (893 of 1406)	96.6 % (280 of 290)
Backbone	78.1 % (1362 of 1744)	78.1 % (472 of 604)	72.0 % (616 of 856)	96.5 % (274 of 284)
Sidechain	57.9 % (1152 of 1990)	57.2 % (667 of 1166)	58.6 % (479 of 818)	100.0 % (6 of 6)
Aromatic	39.3 % (96 of 244)	40.2 % (49 of 122)	37.5 % (45 of 120)	100.0 % (2 of 2)
Methyl	62.9 % (327 of 520)	62.7 % (163 of 260)	63.1 % (164 of 260)

1. KvAP

LRGLSDLGGR VRNIGDVMEH PLVELGVSYA ALLSVIVVVV EYTMQLSGEY LVRLYLVDLI LVIILWADYA YRAYKSGDPA GYVKKTLYEI PALVPAGLLA LIEGHLAGLG LFRLVRLLRF LRILLIISRG SKFLSAIADA ADKLVPR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
2	HEPES	natural abundance	20 mM
3	potassium chloride	natural abundance	20 mM
4	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
8	HEPES	natural abundance	20 mM
9	potassium chloride	natural abundance	20 mM
10	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
11	D2O	natural abundance	99 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

Sample #4

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	KvAP	[U-98% 13C; U-98% 15N]	0.1 ~ 0.5 mM
19	HEPES	natural abundance	20 mM
20	potassium chloride	natural abundance	20 mM
21	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
22	D2O	natural abundance	99 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	KvAP	[13CH3/12CD2]-Leu,Val;[13CH3]-Ile	0.1 ~ 0.5 mM
24	HEPES	natural abundance	20 mM
25	potassium chloride	natural abundance	20 mM
26	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
27	H2O	natural abundance	90 %
28	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	KvAP	[U-98% 13C; U-98% 15N]-Arg	0.3 ~ 0.3 mM
30	HEPES	natural abundance	20 mM
31	potassium chloride	natural abundance	20 mM
32	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

Sample #7

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

Sample #8

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

Sample #9

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
47	KvAP	[U-10% 13C]	0.3 ~ 0.3 mM
48	HEPES	natural abundance	20 mM
49	potassium chloride	natural abundance	20 mM
50	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
51	D2O	natural abundance	99 %

Chem. Shift Complete3

Sequence coverage: 61.9 %, Completeness: 54.2 %, Completeness (bb): 65.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	54.2 % (2820 of 5199)	51.3 % (1363 of 2655)	51.8 % (1093 of 2109)	83.7 % (364 of 435)
Backbone	65.6 % (1715 of 2616)	65.0 % (589 of 906)	59.9 % (769 of 1284)	83.8 % (357 of 426)
Sidechain	45.3 % (1351 of 2985)	44.3 % (775 of 1749)	46.4 % (569 of 1227)	77.8 % (7 of 9)
Aromatic	28.4 % (104 of 366)	29.0 % (53 of 183)	27.2 % (49 of 180)	66.7 % (2 of 3)
Methyl	50.0 % (390 of 780)	49.5 % (193 of 390)	50.5 % (197 of 390)

1. KvAP

LRGLSDLGGR VRNIGDVMEH PLVELGVSYA ALLSVIVVVV EYTMQLSGEY LVRLYLVDLI LVIILWADYA YRAYKSGDPA GYVKKTLYEI PALVPAGLLA LIEGHLAGLG LFRLVRLLRF LRILLIISRG SKFLSAIADA ADKLVPR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
2	HEPES	natural abundance	20 mM
3	potassium chloride	natural abundance	20 mM
4	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
8	HEPES	natural abundance	20 mM
9	potassium chloride	natural abundance	20 mM
10	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
11	D2O	natural abundance	99 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

Sample #4

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	KvAP	[U-98% 13C; U-98% 15N]	0.1 ~ 0.5 mM
19	HEPES	natural abundance	20 mM
20	potassium chloride	natural abundance	20 mM
21	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
22	D2O	natural abundance	99 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	KvAP	[13CH3/12CD2]-Leu,Val;[13CH3]-Ile	0.1 ~ 0.5 mM
24	HEPES	natural abundance	20 mM
25	potassium chloride	natural abundance	20 mM
26	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
27	H2O	natural abundance	90 %
28	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	KvAP	[U-98% 13C; U-98% 15N]-Arg	0.3 ~ 0.3 mM
30	HEPES	natural abundance	20 mM
31	potassium chloride	natural abundance	20 mM
32	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

Sample #7

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

Sample #8

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

Sample #9

Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
47	KvAP	[U-10% 13C]	0.3 ~ 0.3 mM
48	HEPES	natural abundance	20 mM
49	potassium chloride	natural abundance	20 mM
50	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
51	D2O	natural abundance	99 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2KYH, Strand ID: A Detail

Release date

2010-09-23

Citation

Solution structure and phospholipid interactions of the isolated voltage-sensor domain from KvAP
Butterwick, J.A., MacKinnon, R.
J. Mol. Biol. (2010), 403, 591-606, PubMed 20851706 , DOI 10.1016/j.jmb.2010.09.012 , Abstract

Related entities 1. KvAP, : 1 : 1 : 15 entities Detail

Interaction partners 1. KvAP, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 28 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
2	HEPES	natural abundance	20 mM
3	potassium chloride	natural abundance	20 mM
4	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 3D TROSY HNCO

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

3 3D TROSY HNCA

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

4 3D TROSY HN(CO)CA

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

5 3D HCCH-COSY

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	KvAP	[U-98% 13C; U-98% 15N]	0.1 ~ 0.5 mM
19	HEPES	natural abundance	20 mM
20	potassium chloride	natural abundance	20 mM
21	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
22	D2O	natural abundance	99 %

6 3D TROSY HNCACB

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

7 3D 1H-15N NOESY

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
2	HEPES	natural abundance	20 mM
3	potassium chloride	natural abundance	20 mM
4	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

8 3D 1H-13C NOESY

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	KvAP	[U-98% 13C; U-98% 15N]	0.1 ~ 0.5 mM
19	HEPES	natural abundance	20 mM
20	potassium chloride	natural abundance	20 mM
21	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
22	D2O	natural abundance	99 %

9 3D 1H-13C NOESY

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	KvAP	[13CH3/12CD2]-Leu,Val;[13CH3]-Ile	0.1 ~ 0.5 mM
24	HEPES	natural abundance	20 mM
25	potassium chloride	natural abundance	20 mM
26	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
27	H2O	natural abundance	90 %
28	D2O	natural abundance	10 %

10 2D 1H-15N HSQC

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

11 2D 1H-15N HSQC

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
8	HEPES	natural abundance	20 mM
9	potassium chloride	natural abundance	20 mM
10	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
11	D2O	natural abundance	99 %

12 2D HN(CO)

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

13 2D H(N)CO

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

14 2D HN(CA)

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

15 2D H(N)CA

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

16 2D HN(CO)

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

17 2D H(N)CO

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

18 2D HN(CA)

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

19 2D H(N)CA

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

20 2D 1H-15N HSQC

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
35	KvAP	[98% 1-13C,98% 15N]-Leu; [98% 2-13C]-Gly; [98% 2,3-13C]-Ala	0.3 ~ 0.3 mM
36	HEPES	natural abundance	20 mM
37	potassium chloride	natural abundance	20 mM
38	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

21 2D 1H-15N HSQC

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
41	KvAP	[98% 15N]-Ile; [98% 2-13C]-Leu; [98% 1-13C]-Val	0.3 ~ 0.3 mM
42	HEPES	natural abundance	20 mM
43	potassium chloride	natural abundance	20 mM
44	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
45	H2O	natural abundance	90 %
46	D2O	natural abundance	10 %

22 2D 1H-15N HSQC

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	KvAP	[U-98% 13C; U-98% 15N]-Arg	0.3 ~ 0.3 mM
30	HEPES	natural abundance	20 mM
31	potassium chloride	natural abundance	20 mM
32	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

23 2D HN(CA)

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	KvAP	[U-98% 13C; U-98% 15N]-Arg	0.3 ~ 0.3 mM
30	HEPES	natural abundance	20 mM
31	potassium chloride	natural abundance	20 mM
32	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

24 2D H(N)CA

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
29	KvAP	[U-98% 13C; U-98% 15N]-Arg	0.3 ~ 0.3 mM
30	HEPES	natural abundance	20 mM
31	potassium chloride	natural abundance	20 mM
32	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

25 3D 1H-15N NOESY

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
12	KvAP	[U-100% 13C; U-100% 15N; U-50% 2H]	0.1 ~ 0.5 mM
13	HEPES	natural abundance	20 mM
14	potassium chloride	natural abundance	20 mM
15	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
16	H2O	natural abundance	90 %
17	D2O	natural abundance	10 %

26 3D 1H-15N NOESY

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	KvAP	[U-98% 15N]	0.1 ~ 0.5 mM
8	HEPES	natural abundance	20 mM
9	potassium chloride	natural abundance	20 mM
10	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
11	D2O	natural abundance	99 %

27 3D 1H-13C NOESYaro

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
18	KvAP	[U-98% 13C; U-98% 15N]	0.1 ~ 0.5 mM
19	HEPES	natural abundance	20 mM
20	potassium chloride	natural abundance	20 mM
21	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
22	D2O	natural abundance	99 %

28 2D 1H-13C HSQC

Instrument

Bruker DMX - 900 MHz

Sample

State isotropic, Solvent system 99% D2O, Pressure 1 atm, Temperature 318 K, pH 7.0

#	Name	Isotope labeling	Concentration
47	KvAP	[U-10% 13C]	0.3 ~ 0.3 mM
48	HEPES	natural abundance	20 mM
49	potassium chloride	natural abundance	20 mM
50	diheptanoyl phosphatidylcholine	natural abundance	5.0 ~ 0.0 mM
51	D2O	natural abundance	99 %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16957_2kyh.nef
Input source #2: Coordindates	2kyh.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

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

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

---110-------120-------130-------140-------150-
LIEGHLAGLGLFRLVRLLRFLRILLIISRGSKFLSAIADAADKLVPR
|||||||||||||||||||||||||||||||||||||||||||||||
LIEGHLAGLGLFRLVRLLRFLRILLIISRGSKFLSAIADAADKLVPR
-------110-------120-------130-------140-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	147	0	0	100.0

Content subtype: combined_16957_2kyh.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	579		94.6 (chain: A, length: 147)
2	Assigned chemical shifts	assigned_chem_shift_list_2	Warning	1378		98.6 (chain: A, length: 147)
3	Assigned chemical shifts	assigned_chem_shift_list_3	OK	119		36.1 (chain: A, length: 147)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1747 (1)	noe	96.6 (chain: A, length: 147)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	252 (252)	.	89.8 (chain: A, length: 147)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 147, Sequence coverage: 94.6%
- Total number of assignments
  - ¹³C chemical shifts: 307
  - ¹H chemical shifts: 137
  - ¹⁵N chemical shifts: 135
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
Saveframe: assigned_chem_shift_list_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 147, Sequence coverage: 98.6%
- Total number of assignments
  - ¹H chemical shifts: 818
  - ¹³C chemical shifts: 424
  - ¹⁵N chemical shifts: 136
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Tautomeric state of HIS
- 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
Saveframe: assigned_chem_shift_list_3
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 147, Sequence coverage: 36.1%
- Total number of assignments
  - ¹³C chemical shifts: 23
  - ¹H chemical shifts: 48
  - ¹⁵N chemical shifts: 48
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 147, Sequence coverage: 96.6%
- Total number of restraints: 1746
- Weight of restraints: 1.0 (1746)
- Potential type of restraints: square-well-parabolic (1746)
- Range of distance target values: 2.3, 3.65 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- 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: A, Chain length: 147, Sequence coverage: 89.8%
- Total number of restraints: 252
- Total number of restraints per polymer type: 252
- Weight of restraints: 1.0 (252)
- Potential type of restraints: square-well-parabolic (252)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Ion channel

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	703	305	43.4
¹H chemical shifts	885	137	15.5
¹⁵N chemical shifts	156	135	86.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	294	237	80.6
¹H chemical shifts	302	132	43.7
¹⁵N chemical shifts	142	132	93.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	409	68	16.6
¹H chemical shifts	583	5	0.9
¹⁵N chemical shifts	14	3	21.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	885	817	92.3
¹³C chemical shifts	703	424	60.3
¹⁵N chemical shifts	156	136	87.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	302	292	96.7
¹³C chemical shifts	294	115	39.1
¹⁵N chemical shifts	142	133	93.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	583	525	90.1
¹³C chemical shifts	409	309	75.6
¹⁵N chemical shifts	14	3	21.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	132	126	95.5
¹³C chemical shifts	132	120	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	44	72.1
¹³C chemical shifts	60	43	71.7
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (0.868 seconds)

BMRB: 16957

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Related entities 1. KvAP, : 1 : 1 : 15 entities Detail

Interaction partners 1. KvAP, : 1 interactors Detail

Experiments performed 28 experiments Detail

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