BMRB: 17066

SOLUTION NMR STRUCTURE OF THE N-TERMINAL PAS DOMAIN OF HERG POTASSIUM CHANNEL

Authors

Vandenberg, J.I., Ng, C.A., Hunter, M., Mobli, M., King, G.F., Kuchel, P.W.

Assembly

N-Terminal PAS Domain of HERG K Channel

Entity

1. N-Terminal PAS Domain of HERG K Channel (polymer, Thiol state: all free), 136 monomers, 15365.72 Da Detail

SMPVRRGHVA PQNTFLDTII RKFEGQSRKF IIANARVENC AVIYCNDGFC ELCGYSRAEV MQRPCTCDFL HGPRTQRRAA AQIAQALLGA EERKVEIAFY RKDGSCFLCL VDVVPVKNED GAVIMFILNF EVVMEK

Formula weight

15365.72 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing, Generalised Born Energy Minimization, GENERALISED BORN ENERGY MINIMIZATION WITH NMR RESTRAINTS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 89.0 %, Completeness (bb): 97.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.0 % (1413 of 1588)	88.8 % (734 of 827)	87.2 % (539 of 618)	97.9 % (140 of 143)
Backbone	97.6 % (787 of 806)	97.1 % (267 of 275)	98.0 % (392 of 400)	97.7 % (128 of 131)
Sidechain	82.5 % (751 of 910)	84.6 % (467 of 552)	78.6 % (272 of 346)	100.0 % (12 of 12)
Aromatic	18.0 % (22 of 122)	27.9 % (17 of 61)	8.2 % (5 of 61)
Methyl	96.8 % (149 of 154)	98.7 % (76 of 77)	94.8 % (73 of 77)

1. Potassium voltage-gated channel subfamily H member 2

SMPVRRGHVA PQNTFLDTII RKFEGQSRKF IIANARVENC AVIYCNDGFC ELCGYSRAEV MQRPCTCDFL HGPRTQRRAA AQIAQALLGA EERKVEIAFY RKDGSCFLCL VDVVPVKNED GAVIMFILNF EVVMEK

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9, Details N15 labeled protein, 10mM HEPES, 3mM TCEP, 5mM OCTYL GLUCOSIDE

#	Name	Isotope labeling	Type	Concentration
1	sodium chloride	natural abundance		150 mM
2	HEPES	natural abundance		10 mM
3	TCEP	natural abundance		3 mM
4	D2O	[U-100% 2H]		7 %
5	Octyl Glucoside	natural abundance		5 mM
6	H2O	natural abundance		93 %
7	N15 labeled PAS	[U-99% 15N]		99 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9, Details N15 and C13 labeled protein, 10mM HEPES, 3mM TCEP, 5mM OCTYL GLUCOSIDE

#	Name	Isotope labeling	Type	Concentration
8	sodium chloride	natural abundance		150 mM
9	HEPES	natural abundance		10 mM
10	TCEP	natural abundance		3 mM
11	D2O	[U-100% 2H]		100 %
12	Octyl Glucoside	natural abundance		5 mM
13	N15/C13 labeled PAS	[U-99% 13C; U-99% 15N]		99 %

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LACS Plot; CA

Referencing offset: 0.07 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	water	protons	0.0 ppm	internal	indirect	0.2514495
1H	water	protons	4.6 ppm	na	direct	1.0
15N	water	protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.07 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	0.0 ppm	internal	indirect	0.2514495
1H	water	protons	4.6 ppm	na	direct	1.0
15N	water	protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.01 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	0.0 ppm	internal	indirect	0.2514495
1H	water	protons	4.6 ppm	na	direct	1.0
15N	water	protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.3 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	0.0 ppm	internal	indirect	0.2514495
1H	water	protons	4.6 ppm	na	direct	1.0
15N	water	protons	0.0 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2L0W, Strand ID: A Detail

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Release date

2011-05-22

Citation

The N-terminal tail of hERG contains an amphipathic α-helix that regulates channel deactivation
Ng, C., Hunter, M.J., Perry, M.D., Mobli, M., Ke, Y., Kuchel, P.W., King, G.F., Stock, D., Vandenberg, J.I.
PLoS One (2011), 6, e16191-e16191, PubMed 21249148 , DOI 10.1371/journal.pone.0016191 , Abstract

Related entities 1. N-Terminal PAS Domain of HERG K Channel, : 1 : 1 : 16 : 128 entities Detail

Interaction partners 1. N-Terminal PAS Domain of HERG K Channel, : 7 interactors Detail

Experiments performed 12 experiments Detail