BMRB Entry 18748

Name: Backbone chemical shift assignments of the C-terminal SH3 domain of Grb2
Published: 2012-11-02

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18748

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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:

Backbone chemical shift assignments of the C-terminal SH3 domain of Grb2

Deposition date:

2012-10-01

Original release date:

2012-11-02

Authors:

Ghosh, Ragini; Ladbury, John

Citation:

Citation: Ghosh, Ragini; Ladbury, John. "Inhibition of Basal FGF Receptor Signaling by Dimeric Grb2" Cell 149, 1514-1524 (2012).
PubMed: 22726438

Assembly members:

Assembly members:
Grb2_C-terminal_SH3_domain, polymer, 74 residues, 8599 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: recombinant technology Host organism: Escherichia coli Vector: pQE30

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Grb2_C-terminal_SH3_domain: MRGSHHHHHHGSQQPTYVQA LFDFDPQEDGELGFRRGDFI HVMDNSDPNWWKGACHGQTG MFPRNYVTPVNRNV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	158
15N chemical shifts	50
1H chemical shifts	50

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Grb2 C-terminal SH3 domain	1

Entities:

Entity 1, Grb2 C-terminal SH3 domain 74 residues - 8599 Da.

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

GLN

PRO

THR

TYR

VAL

GLN

ALA

3

LEU

PHE

ASP

PHE

ASP

PRO

GLN

GLU

ASP

GLY

4

GLU

LEU

GLY

PHE

ARG

GLY

ASP

PHE

ILE

5

HIS

VAL

MET

ASP

ASN

SER

ASP

PRO

ASN

TRP

6

TRP

LYS

GLY

ALA

CYS

HIS

GLY

GLN

THR

GLY

7

MET

PHE

PRO

ARG

ASN

TYR

VAL

THR

PRO

VAL

8

ASN

ARG

ASN

VAL

Samples:

sample_1: Grb2 C-terminal SH3 domain, [U-100% 13C; U-100% 15N], 0.3 mM; sodium phosphate 25 mM; sodium chloride 140 mM; DTT 2 mM; H2O 90%; D2O 10%

sample_2: Grb2 C-terminal SH3 domain, [U-100% 15N], 0.3 mM; sodium phosphate 25 mM; sodium chloride 140 mM; DTT 2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.215 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

ANALYSIS, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 500 MHz

PDB	1GCQ 1GFC 1GFD 1IO6 2VVK 2VWF 2W0Z
EMBL	CAA44664
GB	ELK30972 ELW68317 ERE69131
REF	XP_006728173 XP_006940642 XP_008766679 XP_010340838 XP_010629093