BMRB Entry 53256

Name: 1H 15N backbone chemical shifts of 2pY Gab1 613-694 bound to C-SH2 domain of Shp2
Published: 2025-12-16

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53256

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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:

1H 15N backbone chemical shifts of 2pY Gab1 613-694 bound to C-SH2 domain of Shp2

Deposition date:

2025-07-05

Original release date:

2025-12-16

Authors:

Machner, Lisa

Citation:

Citation: Machner, Lisa; Shaikhqasem, Alaa; Hamdi, Farzad; Gruber, Tobias; Wiebe, Felix; Breithaupt, Constanze; Kniest, Judith; Lewitzky, Marc; Parthier, Christoph; Kyrilis, Fotios; Balbach, Jochen; Kastritis, Panagiotis; Feller, Stephan; Stubbs, Milton. "Mechanism of SHP2 activation by bis-Tyr-phosphorylated Gab1" Structure ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 82 residues, Formula weight is not available
entity_2, polymer, 124 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: pET42

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SSPMIKPKGDKQVEYLDLDL DSGKSTPPRKQKSSGSGSSV ADERVDYVVVDQQKTLALKS TREAWTDGRQSTESETPAKS VK
entity_2: NCADPTSERWFHGHLSGKEA EKLLTEKGKHGSFLVRESQS HPGDFVLSVRTGDDKGESND GKSKVTHVMIRCQELKYDVG GGERFDSLTDLVEHYKKNPM VETLGTVLQLKQPLNTTR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	51
1H chemical shifts	51

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Gab1	1
2	C-SH2	2

Entities:

Entity 1, Gab1 82 residues - Formula weight is not available

both tyrosines are phosphorylated

1

SER

PRO

MET

ILE

LYS

PRO

LYS

GLY

ASP

2

LYS

GLN

VAL

GLU

TYR

LEU

ASP

LEU

ASP

LEU

3

ASP

SER

GLY

LYS

SER

THR

PRO

ARG

LYS

4

GLN

LYS

SER

GLY

SER

GLY

SER

VAL

5

ALA

ASP

GLU

ARG

VAL

ASP

TYR

VAL

6

ASP

GLN

LYS

THR

LEU

ALA

LEU

LYS

SER

7

THR

ARG

GLU

ALA

TRP

THR

ASP

GLY

ARG

GLN

8

SER

THR

GLU

SER

GLU

THR

PRO

ALA

LYS

SER

9

VAL

LYS

Entity 2, C-SH2 124 residues - Formula weight is not available

1

ASN

CYS

ALA

ASP

PRO

THR

SER

GLU

ARG

TRP

2

PHE

HIS

GLY

HIS

LEU

SER

GLY

LYS

GLU

ALA

3

GLU

LYS

LEU

THR

GLU

LYS

GLY

LYS

HIS

4

GLY

SER

PHE

LEU

VAL

ARG

GLU

SER

GLN

SER

5

HIS

PRO

GLY

ASP

PHE

VAL

LEU

SER

VAL

ARG

6

THR

GLY

ASP

LYS

GLY

GLU

SER

ASN

ASP

7

GLY

LYS

SER

LYS

VAL

THR

HIS

VAL

MET

ILE

8

ARG

CYS

GLN

GLU

LEU

LYS

TYR

ASP

VAL

GLY

9

GLY

GLU

ARG

PHE

ASP

SER

LEU

THR

ASP

10

LEU

VAL

GLU

HIS

TYR

LYS

ASN

PRO

MET

11

VAL

GLU

THR

LEU

GLY

THR

VAL

LEU

GLN

LEU

12

LYS

GLN

PRO

LEU

ASN

THR

ARG

Samples:

sample_1: 2pY-Gab1, [U-100% 13C; U-100% 15N], 750 uM; C-SH2 1.125 mM; Bis Tris / HCl 20 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 6.0; pressure: 1 atm; temperature: 273.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1

Software:

NMRView - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks