BMRBj - BMREntryMaster

Found 1 Document (1.629 seconds)

BMRB: 15231

5OB4

ErbB2TM

Authors

Mineev, K.S., Bocharov, E.V., Mineeva, E.A., Volynsky, P.E., Arseniev, A.S.

Assembly

ErbB2 dimer

Entity

1. ErbB2 dimer (polymer, Thiol state: all free), 44 monomers, 4727.746 × 2 Da Detail

GCPAEQRASP LTSIISAVVG ILLVVVLGVV FGILIKRRQQ KIRK

Total weight

9455.492 Da

Max. entity weight

4727.746 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.9 %, Completeness (bb): 83.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.9 % (465 of 523)	95.6 % (260 of 272)	80.1 % (165 of 206)	88.9 % (40 of 45)
Backbone	83.8 % (218 of 260)	98.9 % (89 of 90)	69.5 % (89 of 128)	95.2 % (40 of 42)
Sidechain	94.7 % (287 of 303)	94.0 % (171 of 182)	98.3 % (116 of 118)	0.0 % (0 of 3)
Aromatic	100.0 % (10 of 10)	100.0 % (5 of 5)	100.0 % (5 of 5)
Methyl	95.0 % (76 of 80)	95.0 % (38 of 40)	95.0 % (38 of 40)

1. ErbB2

GCPAEQRASP LTSIISAVVG ILLVVVLGVV FGILIKRRQQ KIRK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle

#	Name	Isotope labeling	Concentration
1	ErbB2	[U-15N]	2.0 mM
2	DHPC	[U-2H]	64 mM
3	DMPC	[U-2H]	16 mM
4	D2O		5 %
5	H2O	natural abundance	95 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, 15N,13C labeled

#	Name	Isotope labeling	Concentration
6	ErbB2	[U-13C; U-15N]	2.0 mM
7	DHPC	[U-2H]	64 mM
8	DMPC	[U-2H]	16 mM
9	D2O		5 %
10	H2O	natural abundance	95 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, heterodimer of 15N,13C-labeled and unlabeled petide

#	Name	Isotope labeling	Concentration
11	ErbB2	[U-13C; U-15N]	1.0 mM
12	DHPC	[U-2H]	64 mM
13	DMPC	[U-2H]	16 mM
14	ErbB2	natural abundance	1.0 mM
15	D2O		5 %
16	H2O	natural abundance	95 %

Coupling constant

38 J values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 313 K, pH 5.0 Detail

Release date

2008-02-19

Citation

Spatial structure of the dimeric transmembrane domain of the growth factor receptor ErbB2 presumably corresponding to the receptor active state
Bocharov, E.V., Mineev, K.S., Volynsky, P.E., Ermolyuk, Y.S., Tkach, E.N., Sobol, A.G., Chupin, V.V., Kirpichnikov, M.P., Efremov, R.G., Arseniev, A.S.
J. Biol. Chem. (2008), 283, 6950-6956, PubMed 18178548 , DOI 10.1074/jbc.M709202200 , Abstract

Related entities 1. ErbB2 dimer, : 1 : 4 : 1 : 45 entities Detail

Interaction partners 1. ErbB2 dimer, : 119 interactors Detail

More details for 119 interactors identified by 37 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle

#	Name	Isotope labeling	Concentration
1	ErbB2	[U-15N]	2.0 mM
2	DHPC	[U-2H]	64 mM
3	DMPC	[U-2H]	16 mM
4	D2O		5 %
5	H2O	natural abundance	95 %

2 2D 1H-13C HSQC

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, 15N,13C labeled

#	Name	Isotope labeling	Concentration
6	ErbB2	[U-13C; U-15N]	2.0 mM
7	DHPC	[U-2H]	64 mM
8	DMPC	[U-2H]	16 mM
9	D2O		5 %
10	H2O	natural abundance	95 %

3 3D 1H-15N NOESY

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle

#	Name	Isotope labeling	Concentration
1	ErbB2	[U-15N]	2.0 mM
2	DHPC	[U-2H]	64 mM
3	DMPC	[U-2H]	16 mM
4	D2O		5 %
5	H2O	natural abundance	95 %

4 3D 1H-15N TOCSY

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle

#	Name	Isotope labeling	Concentration
1	ErbB2	[U-15N]	2.0 mM
2	DHPC	[U-2H]	64 mM
3	DMPC	[U-2H]	16 mM
4	D2O		5 %
5	H2O	natural abundance	95 %

5 3D 1H-13C NOESY

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, 15N,13C labeled

#	Name	Isotope labeling	Concentration
6	ErbB2	[U-13C; U-15N]	2.0 mM
7	DHPC	[U-2H]	64 mM
8	DMPC	[U-2H]	16 mM
9	D2O		5 %
10	H2O	natural abundance	95 %

6 3D HCCH-TOCSY

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, 15N,13C labeled

#	Name	Isotope labeling	Concentration
6	ErbB2	[U-13C; U-15N]	2.0 mM
7	DHPC	[U-2H]	64 mM
8	DMPC	[U-2H]	16 mM
9	D2O		5 %
10	H2O	natural abundance	95 %

7 3D HNCA

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, 15N,13C labeled

#	Name	Isotope labeling	Concentration
6	ErbB2	[U-13C; U-15N]	2.0 mM
7	DHPC	[U-2H]	64 mM
8	DMPC	[U-2H]	16 mM
9	D2O		5 %
10	H2O	natural abundance	95 %

8 3D HN(CO)CA

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, 15N,13C labeled

#	Name	Isotope labeling	Concentration
6	ErbB2	[U-13C; U-15N]	2.0 mM
7	DHPC	[U-2H]	64 mM
8	DMPC	[U-2H]	16 mM
9	D2O		5 %
10	H2O	natural abundance	95 %

9 3D HNHA

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle

#	Name	Isotope labeling	Concentration
1	ErbB2	[U-15N]	2.0 mM
2	DHPC	[U-2H]	64 mM
3	DMPC	[U-2H]	16 mM
4	D2O		5 %
5	H2O	natural abundance	95 %

10 3D HNHB

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle

#	Name	Isotope labeling	Concentration
1	ErbB2	[U-15N]	2.0 mM
2	DHPC	[U-2H]	64 mM
3	DMPC	[U-2H]	16 mM
4	D2O		5 %
5	H2O	natural abundance	95 %

11 3D-C13-CHIRP-NOESY

Instrument

Varian Unity - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.0, Details DHPC/DMPC bicelle, heterodimer of 15N,13C-labeled and unlabeled petide

#	Name	Isotope labeling	Concentration
11	ErbB2	[U-13C; U-15N]	1.0 mM
12	DHPC	[U-2H]	64 mM
13	DMPC	[U-2H]	16 mM
14	ErbB2	natural abundance	1.0 mM
15	D2O		5 %
16	H2O	natural abundance	95 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15231_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: bmr15231_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	533		100.0 (chain: 1, length: 44)
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: 44, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 333
  - ¹³C chemical shifts: 160
  - ¹⁵N chemical shifts: 40
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	272	257	94.5
¹³C chemical shifts	206	160	77.7
¹⁵N chemical shifts	49	40	81.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	88	97.8
¹³C chemical shifts	88	44	50.0
¹⁵N chemical shifts	42	40	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	182	169	92.9
¹³C chemical shifts	118	116	98.3
¹⁵N chemical shifts	7	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	38	95.0
¹³C chemical shifts	40	38	95.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0
¹³C chemical shifts	5	5	100.0

Keywords ErbB2, membrane dimer, protein kinase recepor, solution NMR

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Found 1 Document (1.629 seconds)

BMRB: 15231

Sample #1

Sample #2

Sample #3

Related entities 1. ErbB2 dimer, : 1 : 4 : 1 : 45 entities Detail

Interaction partners 1. ErbB2 dimer, : 119 interactors Detail

Experiments performed 11 experiments Detail

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Chemical shift validation 3 contents Detail