BMRB Entry 16658

Name: Heterodimeric association of Transmembrane domains of ErbB1 and ErbB2 receptors Enabling Kinase Activation
Published: 2010-05-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16658

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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:

Heterodimeric association of Transmembrane domains of ErbB1 and ErbB2 receptors Enabling Kinase Activation

Deposition date:

2009-12-24

Original release date:

2010-05-20

Authors:

MIneev, Konstantin; Bocharov, Eduard; Pustovalova, Yulia; Bocharova, Olga; Chupin, Vladimir; Arseniev, Alexander

Citation:

Citation: Mineev, Konstantin; Bocharov, Eduard; Pustovalova, Yulia; Bocharova, Olga; Chupin, Vladimir; Arseniev, Alexander. "Spatial structure of the transmembrane domain heterodimer of ErbB1 and ErbB2 receptor tyrosine kinases." J. Mol. Biol. 400, 231-243 (2010).
PubMed: 20471394

Assembly members:

Assembly members:
ErbB1TM, polymer, 44 residues, Formula weight is not available
ErbB2TM, polymer, 44 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: n/a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ErbB1TM: EGCPTNGPKIPSIATGMVGA LLLLLVVALGIGLFMRRRHI VRKR
ErbB2TM: GCPAEQRASPLTSIISAVVG ILLVVVLGVVFGILIKRRQQ KIRK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	351
15N chemical shifts	78
1H chemical shifts	661

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	EGFR TM segment	1
2	ErbB2 TM segment	2

Entities:

Entity 1, EGFR TM segment 44 residues - Formula weight is not available

1

GLU

GLY

CYS

PRO

THR

ASN

GLY

PRO

LYS

ILE

2

PRO

SER

ILE

ALA

THR

GLY

MET

VAL

GLY

ALA

3

LEU

VAL

ALA

LEU

GLY

4

ILE

GLY

LEU

PHE

MET

ARG

HIS

ILE

5

VAL

ARG

LYS

ARG

Entity 2, ErbB2 TM segment 44 residues - Formula weight is not available

1

GLY

CYS

PRO

ALA

GLU

GLN

ARG

ALA

SER

PRO

2

LEU

THR

SER

ILE

SER

ALA

VAL

GLY

3

ILE

LEU

VAL

LEU

GLY

VAL

4

PHE

GLY

ILE

LEU

ILE

LYS

ARG

GLN

5

LYS

ILE

ARG

LYS

Samples:

sample_1: ErbB1TM, [U-100% 15N], 1 mM; ErbB2TM, [U-100% 15N], 1 mM; DMPC 12 mM; DHPC 48 mM; EDTA 3 mM; TCEP 1 mM; H2O 95%; D2O 5%

sample_2: ErbB1TM, [U-100% 13C; U-100% 15N], 1 mM; ErbB2TM 1 mM; DMPC, [U-2H], 12 mM; DHPC, [U-2H], 48 mM; EDTA 3 mM; TCEP 1 mM; D2O 100%

sample_4: ErbB1TM 1 mM; ErbB2TM, [U-100% 13C; U-100% 15N], 1 mM; DMPC, [U-2H], 12 mM; DHPC, [U-2H], 48 mM; EDTA 3 mM; TCEP 1 mM; H2O 95%; D2O 5%

sample_5: ErbB1TM, [U-100% 13C; U-100% 15N], 1 mM; ErbB2TM 1 mM; DMPC, [U-2H], 12 mM; DHPC, [U-2H], 48 mM; EDTA 3 mM; TCEP 1 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 10 mM; pH: 4.5; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_4	isotropic	sample_conditions_1
3D HNCA	sample_4	isotropic	sample_conditions_1
3D HN(CO)CA	sample_4	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_4	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_4	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3d-13Cfilt NOESY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - processing

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

BMRB	18804 25729 15231
PDB	2KS1 2M0B 2N5S 2JWA 2KS1
DBJ	BAD92679 BAF83041 BAH11869 BAI46646 BAG58195 BAG62073 BAJ17684
EMBL	CAA25240 CAA25282 CAA27060
GB	AAG35789 AAG43243 AAH94761 AAS83109 AAT52212 AAA75493 AAI56756 AAI67147 AAO18082 AAX40997
PRF	1006266A 1202345A
REF	NP_005219 XP_004045514 XP_008967087 XP_519102 NP_001005862 NP_001276865 NP_001276866 NP_004439 XP_001090319
SP	P00533 P04626
AlphaFold	P00533 P04626