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BMRB: 16946

2L1M

15N, 13C and 1H Resonance Assignments of the PAS domain of hERG (KV11.1)

Authors

Muskett, F.W., Mitcheson, J.S.

Assembly

hERG1-135

Entity

1. hERG1-135 (polymer, Thiol state: all free), 150 monomers, 17225.67 Da Detail

MPVRRGHVAP QNTFLDTIIR KFEGQSRKFI IANARVENCA VIYCNDGFCE LCGYSRAEVM QRPCTCDFLH GPRTQRRAAA QIAQALLGAE ERKVEIAFYR KDGSCFLCLV DVVPVKNEDG AVIMFILNFE VVMEKENLYF QSLEHHHHHH

Formula weight

17225.67 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.7 %, Completeness: 80.7 %, Completeness (bb): 88.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.7 % (1428 of 1769)	82.0 % (754 of 920)	77.5 % (535 of 690)	87.4 % (139 of 159)
Backbone	88.2 % (785 of 890)	89.4 % (271 of 303)	87.1 % (385 of 442)	89.0 % (129 of 145)
Sidechain	75.4 % (770 of 1021)	78.3 % (483 of 617)	71.0 % (277 of 390)	71.4 % (10 of 14)
Aromatic	44.5 % (73 of 164)	75.6 % (62 of 82)	13.4 % (11 of 82)
Methyl	90.1 % (146 of 162)	90.1 % (73 of 81)	90.1 % (73 of 81)

1. hERG1-135

MPVRRGHVAP QNTFLDTIIR KFEGQSRKFI IANARVENCA VIYCNDGFCE LCGYSRAEVM QRPCTCDFLH GPRTQRRAAA QIAQALLGAE ERKVEIAFYR KDGSCFLCLV DVVPVKNEDG AVIMFILNFE VVMEKENLYF QSLEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
9	hERG1-135	[U-100% 15N]		0.2 mM
10	H20	natural abundance		90 %
11	D20	natural abundance		10 %
12	EDTA	natural abundance		500 uM
13	AEBSF	natural abundance		200 uM
14	DTT	natural abundance		200 uM
15	Sodium_Azide	natural abundance		0.02 % w/v
16	acetate buffer	natural abundance		20 mM

Release date

2010-08-17

Citation

Resonance assignment and secondary structure prediction of the N-terminal domain of hERG (Kv11.1)
Muskett, F.W., Mitcheson, J.S.
Biomol. NMR Assign. (2011), 5, 15-17, PubMed 20711762 , DOI 10.1007/s12104-010-9256-3 , Abstract

Related entities 1. hERG1-135, : 1 : 3 : 85 entities Detail

Interaction partners 1. hERG1-135, : 7 interactors Detail

More details for 7 interactors identified by 4 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
9	hERG1-135	[U-100% 15N]		0.2 mM
10	H20	natural abundance		90 %
11	D20	natural abundance		10 %
12	EDTA	natural abundance		500 uM
13	AEBSF	natural abundance		200 uM
14	DTT	natural abundance		200 uM
15	Sodium_Azide	natural abundance		0.02 % w/v
16	acetate buffer	natural abundance		20 mM

2 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

3 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

4 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

5 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

7 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

8 3D CCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

9 3D HNHA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
9	hERG1-135	[U-100% 15N]		0.2 mM
10	H20	natural abundance		90 %
11	D20	natural abundance		10 %
12	EDTA	natural abundance		500 uM
13	AEBSF	natural abundance		200 uM
14	DTT	natural abundance		200 uM
15	Sodium_Azide	natural abundance		0.02 % w/v
16	acetate buffer	natural abundance		20 mM

10 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
9	hERG1-135	[U-100% 15N]		0.2 mM
10	H20	natural abundance		90 %
11	D20	natural abundance		10 %
12	EDTA	natural abundance		500 uM
13	AEBSF	natural abundance		200 uM
14	DTT	natural abundance		200 uM
15	Sodium_Azide	natural abundance		0.02 % w/v
16	acetate buffer	natural abundance		20 mM

11 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	hERG1-135	[U-100% 13C; U-100% 15N]		0.2 mM
2	H20	natural abundance		90 %
3	D20	natural abundance		10 %
4	EDTA	natural abundance		500 uM
5	AEBSF	natural abundance		200 uM
6	DTT	natural abundance		200 uM
7	Sodium_Azide	natural abundance		0.02 % w/v
8	acetate buffer	natural abundance		20 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16946_3.str
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

Content subtype: bmr16946_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1536		88.7 (chain: 1, length: 150)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 150, Sequence coverage: 88.7%
- Total number of assignments
  - ¹H chemical shifts: 873
  - ¹³C chemical shifts: 522
  - ¹⁵N chemical shifts: 141
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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: 1

Keywords hERG, Kv11.1, NMR resonance assignments, PAS domain, secondary structure