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Found 1 Document (3.193 seconds)

BMRB: 34694

7QI2

Magic-angle spinning NMR structure of the human voltage-dependent anion channel 1 (E73V/C127A/C232S) in DMPC lipid bilayers

Authors

Najbauer, E.E., Andreas, L.B.

Assembly

Voltage-dependent anion-selective channel protein 1

Entity

1. Voltage-dependent anion-selective channel protein 1 (polymer, Thiol state: not present), 291 monomers, 31759.19 Da Detail

MAVPPTYADL GKSARDVFTK GYGFGLIKLD LKTKSENGLE FTSSGSANTE TTKVTGSLET KYRWTEYGLT FTVKWNTDNT LGTEITVEDQ LARGLKLTFD SSFSPNTGKK NAKIKTGYKR EHINLGADMD FDIAGPSIRG ALVLGYEGWL AGYQMNFETA KSRVTQSNFA VGYKTDEFQL HTNVNDGTEF GGSIYQKVNK KLETAVNLAW TAGNSNTRFG IAAKYQIDPD ASFSAKVNNS SLIGLGYTQT LKPGIKLTLS ALLDGKNVNA GGHKLGLGLE FQALEHHHHH H

Formula weight

31759.19 Da

Source organism

Homo sapiens

Exptl. method

solid-state NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 72.2 %, Completeness: 36.7 %, Completeness (bb): 65.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	36.7 % (1224 of 3333)	25.1 % (429 of 1711)	45.4 % (590 of 1299)	63.5 % (205 of 323)
Backbone	65.5 % (1135 of 1734)	59.7 % (363 of 608)	67.5 % (568 of 841)	71.6 % (204 of 285)
Sidechain	14.0 % (261 of 1858)	6.1 % (67 of 1103)	26.9 % (193 of 717)	2.6 % (1 of 38)
Aromatic	1.9 % (6 of 312)	2.6 % (4 of 156)	1.3 % (2 of 152)	0.0 % (0 of 4)
Methyl	12.0 % (38 of 316)	7.0 % (11 of 158)	17.1 % (27 of 158)

1. entity 1

Show sample condition

Sample #1

Solvent system 100% H2O, Pressure 1 atm, Temperature 285 K, pH 6.5, Details 66 % w/w [U-13C; U-15N; U-2H] u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S), 33 % w/w DMPC, 10 mM MES, 150 mM sodium chloride, 20 mM MgCl2, 100% H2O

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

Sample #2

Solvent system 100% H2O, Pressure 1 atm, Temperature 285 K, pH 6.5, Details 66 % w/w [U-13C; U-15N]-alpha PET u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S), 33 % w/w DMPC, 10 mM MES, 150 mM sodium chloride, 20 mM MgCl2, 100% H2O

#	Name	Isotope labeling	Concentration
6	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N]-alpha PET	66 % w/w
7	DMPC	natural abundance	33 % w/w
8	MES	natural abundance	10 mM
9	sodium chloride	natural abundance	150 mM
10	MgCl2	natural abundance	20 mM

Release date

2022-03-08

Citation

Structure and Gating Behavior of the Human Integral Membrane Protein VDAC1 in a Lipid Bilayer
Najbauer, E.E., Tekwani Movellan, K., Giller, K., Benz, R., Becker, S., Griesinger, C., Andreas, L.B.
J. Am. Chem. Soc. (2022), 144, 2953-2967, PubMed 35164499 , DOI 10.1021/jacs.1c09848 , Abstract

Related entities 1. Voltage-dependent anion-selective channel protein 1, : 1 : 12 : 101 entities Detail

Interaction partners 1. Voltage-dependent anion-selective channel protein 1, : 95 interactors Detail

More details for 95 interactors identified by 35 citations

Experiments performed 14 experiments Detail

1 hCANH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

State anisotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 285 K, pH 6.5, Details 66 % w/w [U-13C; U-15N; U-2H] u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S), 33 % w/w DMPC, 10 mM MES, 150 mM sodium chloride, 20 mM MgCl2, 100% H2O

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

2 hcoCAcoNH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

3 hCONH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

4 hCOcaNH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

5 hcaCBcaNH

Instrument

Bruker AVANCE III HD - 950 MHz 0.7 mm probe, 90.909 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

6 hcoCACONH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

7 hCOCANH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

8 hNcocaNH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

9 hNcacoNH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

10 hcaCBcacoNH

Instrument

Bruker AVANCE III HD - 950 MHz 0.7 mm probe, 90.909 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

11 hNCAH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

State anisotropic, Solvent system 100% H2O, Pressure 1 atm, Temperature 285 K, pH 6.5, Details 66 % w/w [U-13C; U-15N]-alpha PET u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S), 33 % w/w DMPC, 10 mM MES, 150 mM sodium chloride, 20 mM MgCl2, 100% H2O

#	Name	Isotope labeling	Concentration
6	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N]-alpha PET	66 % w/w
7	DMPC	natural abundance	33 % w/w
8	MES	natural abundance	10 mM
9	sodium chloride	natural abundance	150 mM
10	MgCl2	natural abundance	20 mM

12 HNhhNH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

13 hCOCAnH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
1	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N; U-2H]	66 % w/w
2	DMPC	natural abundance	33 % w/w
3	MES	natural abundance	10 mM
4	sodium chloride	natural abundance	150 mM
5	MgCl2	natural abundance	20 mM

14 hNcoCAH

Instrument

Bruker AVANCE III HD - 800 MHz 1.3 mm probe, 55 kHz MAS

Sample

#	Name	Isotope labeling	Concentration
6	u[2H,13C,15N]-hVDAC1(E73V/C127A/C232S)	[U-13C; U-15N]-alpha PET	66 % w/w
7	DMPC	natural abundance	33 % w/w
8	MES	natural abundance	10 mM
9	sodium chloride	natural abundance	150 mM
10	MgCl2	natural abundance	20 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34694_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: bmr34694_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1049		67.4 (chain: 1, length: 291)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 291, Sequence coverage: 67.4%
- Total number of assignments
  - ¹³C chemical shifts: 529
  - ¹H chemical shifts: 331
  - ¹⁵N chemical shifts: 189
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	1299	529	40.7
¹H chemical shifts	1711	331	19.3
¹⁵N chemical shifts	323	189	58.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	582	370	63.6
¹H chemical shifts	608	331	54.4
¹⁵N chemical shifts	285	189	66.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	717	159	22.2
¹H chemical shifts	1103	0	0.0
¹⁵N chemical shifts	38	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	161	17	10.6
¹H chemical shifts	161	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	152	0	0.0
¹H chemical shifts	156	0	0.0
¹⁵N chemical shifts	4	0	0.0

Keywords MEMBRANE PROTEIN, gating, magic-angle spinning, solid-state NMR spectroscopy, voltage-dependent anion channel

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Found 1 Document (3.193 seconds)

BMRB: 34694

Sample #1

Sample #2

Related entities 1. Voltage-dependent anion-selective channel protein 1, : 1 : 12 : 101 entities Detail

Interaction partners 1. Voltage-dependent anion-selective channel protein 1, : 95 interactors Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 3 contents Detail