BMRB Entry 11055

Name: NMR structure of Grb2 SH2 domain complexed with the inhibitor
Published: 2008-09-29

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR11055

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of Grb2 SH2 domain complexed with the inhibitor PubMed: 18830565

Deposition date: 2008-08-07 Original release date: 2008-09-29

Authors: Ogura, Kenji; Shiga, Takanori; Yokochi, Masashi; Yuzawa, Satoru; Inagaki, Fuyuhiko

Citation: Ogura, Kenji; Shiga, Takanori; Yokochi, Masashi; Yuzawa, Satoru; Burke, Terrence; Inagaki, Fuyuhiko. "Solution structure of the Grb2 SH2 domain complexed with a high-affinity inhibitor." J. Biomol. NMR 42, 197-207 (2008).

Assembly members:
growth factor receptor binding protein SH2 domain, polymer, 100 residues, Formula weight is not available

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
growth factor receptor binding protein SH2 domain: WFFGKIPRAKAEEMLSKQRH DGAFLIRESESAPGDFSLSV KFGNDVQHFKVLRDGAGKYF LWVVKFNSLNELVDYHRSTS VSRNQQIFLRDIEQVPQQPT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	273
15N chemical shifts	103
1H chemical shifts	694

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	growth factor receptor binding protein SH2 domain	1

Entities:

Entity 1, growth factor receptor binding protein SH2 domain 100 residues - Formula weight is not available

1	TRP	PHE	PHE	GLY	LYS	ILE	PRO	ARG	ALA	LYS
2	ALA	GLU	GLU	MET	LEU	SER	LYS	GLN	ARG	HIS
3	ASP	GLY	ALA	PHE	LEU	ILE	ARG	GLU	SER	GLU
4	SER	ALA	PRO	GLY	ASP	PHE	SER	LEU	SER	VAL
5	LYS	PHE	GLY	ASN	ASP	VAL	GLN	HIS	PHE	LYS
6	VAL	LEU	ARG	ASP	GLY	ALA	GLY	LYS	TYR	PHE
7	LEU	TRP	VAL	VAL	LYS	PHE	ASN	SER	LEU	ASN
8	GLU	LEU	VAL	ASP	TYR	HIS	ARG	SER	THR	SER
9	VAL	SER	ARG	ASN	GLN	GLN	ILE	PHE	LEU	ARG
10	ASP	ILE	GLU	GLN	VAL	PRO	GLN	GLN	PRO	THR

Samples:

sample_1: growth factor receptor binding protein SH2 domain, [U-99% 13C; U-99% 15N], 0.5 mM; sodium phosphate 20 mM; NaCl 150 mM; NaN3 0.05%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.15 M; pH: 6.3; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Varian INOVA 800 MHz

PDB	1BM2 1BMB 1CJ1 1FHS 1FYR 1GHU 1GRI 1JYQ 1JYR 1JYU 1QG1 1TZE 1X0N 1ZFP 2AOA 2AOB 2H46 2H5K 2HUW 3C7I 3IMD 3IMJ 3IN7 3IN8 3KFJ 3MXC 3MXY 3N7Y 3N84 3N8M 3OV1 3OVE 3S8L 3S8N 3S8O 3WA4 4P9V 4P9Z
DBJ	BAA08645 BAA12862 BAE28376 BAE32093 BAE33439
EMBL	CAA44664 CAA44665 CAB59279 CAG29359 CAG46740
GB	AAA16318 AAA58448 AAB40022 AAB49699 AAC37549
REF	NP_001008130 NP_001029802 NP_001084357 NP_001085669 NP_001126954
SP	P62993 P62994 P87379 Q07883 Q5R4J7
TPG	DAA18091

Biological Magnetic Resonance Data Bank