BMRB Entry 17488

Name: Spatial structure of dimeric ErbB3 transmembrane domain
Published: 2011-05-10

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PDB ID: 2l9u
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17488
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Spatial structure of dimeric ErbB3 transmembrane domain

Deposition date:

2011-02-24

Original release date:

2011-05-10

Authors:

Mineev, Konstantin; Arseniev, Alexander

Citation:

Citation: Mineev, Konstantin; Khabibullina, Nelya; Lyukmanova, Ekaterina; Dolgikh, Dmitry; Kirpichnikov, Mikhail; Arseniev, Alexander. "Spatial structure and dimer-monomer equilibrium of the ERBB3 transmembrane domain in DPC micelles" Biochim. Biophys. Acta ., .-..

Assembly members:

Assembly members:
ErbB3tm, polymer, 40 residues, 4703.692 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free Vector: pET-22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ErbB3tm: MGRTHLTMALTVIAGLVVIF MMLGGTFLYWRGRRHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	177
15N chemical shifts	47
1H chemical shifts	302

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	1

Entities:

Entity 1, entity_1 40 residues - 4703.692 Da.

1	MET	GLY	ARG	THR	HIS	LEU	THR	MET	ALA	LEU
2	THR	VAL	ILE	ALA	GLY	LEU	VAL	VAL	ILE	PHE
3	MET	MET	LEU	GLY	GLY	THR	PHE	LEU	TYR	TRP
4	ARG	GLY	ARG	ARG	HIS	HIS	HIS	HIS	HIS	HIS

Samples:

water: ErbB3tm, [U-100% 13C; U-100% 15N], 1 mM; ErbB3tm 1 mM; DPC, [U-99% 2H], 80 mM; sodium azide 1 mM; H2O 90%; D2O 10%

D2O: ErbB3tm, [U-100% 13C; U-100% 15N], 1 mM; ErbB3tm 1 mM; DPC, [U-99% 2H], 80 mM; sodium azide 1 mM; D2O 100%

sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	water	isotropic	sample_conditions_1
3D HNCA	water	isotropic	sample_conditions_1
3D HN(CO)CA	water	isotropic	sample_conditions_1
3D 1H-15N NOESY	water	isotropic	sample_conditions_1
3D 1H-13C NOESY	D2O	isotropic	sample_conditions_1
2D 1H-15N HSQC	water	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	D2O	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	D2O	isotropic	sample_conditions_1
3D 15N,13C-filtered, 13C-edited NOESY	D2O	isotropic	sample_conditions_1
3D 15N,13C-filtered, 13C-edited NOESY	water	isotropic	sample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CARA v1.8.5, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

TOPSPIN v2.1, Bruker Biospin - processing

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2L9U
DBJ	BAG62544
GB	EAW96883

1	MET	GLY	ARG	THR	HIS	LEU	THR	MET	ALA	LEU
2	THR	VAL	ILE	ALA	GLY	LEU	VAL	VAL	ILE	PHE
3	MET	MET	LEU	GLY	GLY	THR	PHE	LEU	TYR	TRP
4	ARG	GLY	ARG	ARG	HIS	HIS	HIS	HIS	HIS	HIS

1	MET	GLY	ARG	THR	HIS	LEU	THR	MET	ALA	LEU
2	THR	VAL	ILE	ALA	GLY	LEU	VAL	VAL	ILE	PHE
3	MET	MET	LEU	GLY	GLY	THR	PHE	LEU	TYR	TRP
4	ARG	GLY	ARG	ARG	HIS	HIS	HIS	HIS	HIS	HIS