BMRB Entry 28071

Name: Backbone resonances of the tandem SH2 domain of SHP2
Published: 2020-11-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28071

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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 resonances of the tandem SH2 domain of SHP2

Deposition date:

2020-02-09

Original release date:

2020-11-13

Authors:

Marasco, Michelangelo; Kirkpatrick, John; Carlomagno, Teresa

Citation:

Citation: Marasco, Michelangelo; Kirkpatrick, John; Carlomagno, Teresa. "1H, 13C, 15N chemical shift assignments of SHP2 SH2 domains in complex with PD-1 immune-tyrosine motifs" Biomol. NMR Assign. 14, 179-188 (2020).
PubMed: 32236803

Assembly members:

Assembly members:
tandem, polymer, 220 residues, 24758.8305 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: pETM22

Entity Sequences (FASTA):

Entity Sequences (FASTA):
tandem: MASRRWFHPNITGVEAENLL LTRGVDGSFLARPSKSNPGD FTLSVRRNGAVTHIKIQNTG DYYDLYGGEKFATLAELVQY YMEHHGQLKEKNGDVIELKY PLNCADPTSERWFHGHLSGK EAEKLLTEKGKHGSFLVRES QSHPGDFVLSVRTGDDKGES NDGKSKVTHVMIRCQELKYD VGGGERFDSLTDLVEHYKKN PMVETLGTVLQLKQPLNTTR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	594
15N chemical shifts	201
1H chemical shifts	201

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	tandem	1

Entities:

Entity 1, tandem 220 residues - 24758.8305 Da.

1	MET	ALA	SER	ARG	ARG	TRP	PHE	HIS	PRO	ASN
2	ILE	THR	GLY	VAL	GLU	ALA	GLU	ASN	LEU	LEU
3	LEU	THR	ARG	GLY	VAL	ASP	GLY	SER	PHE	LEU
4	ALA	ARG	PRO	SER	LYS	SER	ASN	PRO	GLY	ASP
5	PHE	THR	LEU	SER	VAL	ARG	ARG	ASN	GLY	ALA
6	VAL	THR	HIS	ILE	LYS	ILE	GLN	ASN	THR	GLY
7	ASP	TYR	TYR	ASP	LEU	TYR	GLY	GLY	GLU	LYS
8	PHE	ALA	THR	LEU	ALA	GLU	LEU	VAL	GLN	TYR
9	TYR	MET	GLU	HIS	HIS	GLY	GLN	LEU	LYS	GLU
10	LYS	ASN	GLY	ASP	VAL	ILE	GLU	LEU	LYS	TYR
11	PRO	LEU	ASN	CYS	ALA	ASP	PRO	THR	SER	GLU
12	ARG	TRP	PHE	HIS	GLY	HIS	LEU	SER	GLY	LYS
13	GLU	ALA	GLU	LYS	LEU	LEU	THR	GLU	LYS	GLY
14	LYS	HIS	GLY	SER	PHE	LEU	VAL	ARG	GLU	SER
15	GLN	SER	HIS	PRO	GLY	ASP	PHE	VAL	LEU	SER
16	VAL	ARG	THR	GLY	ASP	ASP	LYS	GLY	GLU	SER
17	ASN	ASP	GLY	LYS	SER	LYS	VAL	THR	HIS	VAL
18	MET	ILE	ARG	CYS	GLN	GLU	LEU	LYS	TYR	ASP
19	VAL	GLY	GLY	GLY	GLU	ARG	PHE	ASP	SER	LEU
20	THR	ASP	LEU	VAL	GLU	HIS	TYR	LYS	LYS	ASN
21	PRO	MET	VAL	GLU	THR	LEU	GLY	THR	VAL	LEU
22	GLN	LEU	LYS	GLN	PRO	LEU	ASN	THR	THR	ARG

Samples:

tSH2_1: tandem, [U-13C; U-15N], 0.5 mM; MES 100.0 mM; NaCl 150.0 mM; TCEP 3.0 mM

Standard: ionic strength: 0.150 M; pH: 6.800; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	tSH2_1	isotropic	Standard
3D HNCACB	tSH2_1	isotropic	Standard
3D HNCO	tSH2_1	isotropic	Standard
3D HNCA	tSH2_1	isotropic	Standard
3D HN(CO)CA	tSH2_1	isotropic	Standard
HN(COCA)CB (H[N[co[{CA\|ca[C]}]]])	tSH2_1	isotropic	Standard

Software:

CcpNmr_Analysis v2.4, CCPN - pick peaking, chemical shift assignment

NMRPipe v8.7, F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer, A. Bax - data processing

TOPSPIN v3.2, Bruker Biospin - data collection

NMR spectrometers:

Bruker Avance III HD 850 MHz
Bruker Avance III HD 600 MHz

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

1	MET	ALA	SER	ARG	ARG	TRP	PHE	HIS	PRO	ASN
2	ILE	THR	GLY	VAL	GLU	ALA	GLU	ASN	LEU	LEU
3	LEU	THR	ARG	GLY	VAL	ASP	GLY	SER	PHE	LEU
4	ALA	ARG	PRO	SER	LYS	SER	ASN	PRO	GLY	ASP
5	PHE	THR	LEU	SER	VAL	ARG	ARG	ASN	GLY	ALA
6	VAL	THR	HIS	ILE	LYS	ILE	GLN	ASN	THR	GLY
7	ASP	TYR	TYR	ASP	LEU	TYR	GLY	GLY	GLU	LYS
8	PHE	ALA	THR	LEU	ALA	GLU	LEU	VAL	GLN	TYR
9	TYR	MET	GLU	HIS	HIS	GLY	GLN	LEU	LYS	GLU
10	LYS	ASN	GLY	ASP	VAL	ILE	GLU	LEU	LYS	TYR
11	PRO	LEU	ASN	CYS	ALA	ASP	PRO	THR	SER	GLU
12	ARG	TRP	PHE	HIS	GLY	HIS	LEU	SER	GLY	LYS
13	GLU	ALA	GLU	LYS	LEU	LEU	THR	GLU	LYS	GLY
14	LYS	HIS	GLY	SER	PHE	LEU	VAL	ARG	GLU	SER
15	GLN	SER	HIS	PRO	GLY	ASP	PHE	VAL	LEU	SER
16	VAL	ARG	THR	GLY	ASP	ASP	LYS	GLY	GLU	SER
17	ASN	ASP	GLY	LYS	SER	LYS	VAL	THR	HIS	VAL
18	MET	ILE	ARG	CYS	GLN	GLU	LEU	LYS	TYR	ASP
19	VAL	GLY	GLY	GLY	GLU	ARG	PHE	ASP	SER	LEU
20	THR	ASP	LEU	VAL	GLU	HIS	TYR	LYS	LYS	ASN
21	PRO	MET	VAL	GLU	THR	LEU	GLY	THR	VAL	LEU
22	GLN	LEU	LYS	GLN	PRO	LEU	ASN	THR	THR	ARG

1	MET	ALA	SER	ARG	ARG	TRP	PHE	HIS	PRO	ASN
2	ILE	THR	GLY	VAL	GLU	ALA	GLU	ASN	LEU	LEU
3	LEU	THR	ARG	GLY	VAL	ASP	GLY	SER	PHE	LEU
4	ALA	ARG	PRO	SER	LYS	SER	ASN	PRO	GLY	ASP
5	PHE	THR	LEU	SER	VAL	ARG	ARG	ASN	GLY	ALA
6	VAL	THR	HIS	ILE	LYS	ILE	GLN	ASN	THR	GLY
7	ASP	TYR	TYR	ASP	LEU	TYR	GLY	GLY	GLU	LYS
8	PHE	ALA	THR	LEU	ALA	GLU	LEU	VAL	GLN	TYR
9	TYR	MET	GLU	HIS	HIS	GLY	GLN	LEU	LYS	GLU
10	LYS	ASN	GLY	ASP	VAL	ILE	GLU	LEU	LYS	TYR
11	PRO	LEU	ASN	CYS	ALA	ASP	PRO	THR	SER	GLU
12	ARG	TRP	PHE	HIS	GLY	HIS	LEU	SER	GLY	LYS
13	GLU	ALA	GLU	LYS	LEU	LEU	THR	GLU	LYS	GLY
14	LYS	HIS	GLY	SER	PHE	LEU	VAL	ARG	GLU	SER
15	GLN	SER	HIS	PRO	GLY	ASP	PHE	VAL	LEU	SER
16	VAL	ARG	THR	GLY	ASP	ASP	LYS	GLY	GLU	SER
17	ASN	ASP	GLY	LYS	SER	LYS	VAL	THR	HIS	VAL
18	MET	ILE	ARG	CYS	GLN	GLU	LEU	LYS	TYR	ASP
19	VAL	GLY	GLY	GLY	GLU	ARG	PHE	ASP	SER	LEU
20	THR	ASP	LEU	VAL	GLU	HIS	TYR	LYS	LYS	ASN
21	PRO	MET	VAL	GLU	THR	LEU	GLY	THR	VAL	LEU
22	GLN	LEU	LYS	GLN	PRO	LEU	ASN	THR	THR	ARG

1	MET	ALA	SER	ARG	ARG	TRP	PHE	HIS	PRO	ASN
2	ILE	THR	GLY	VAL	GLU	ALA	GLU	ASN	LEU	LEU
3	LEU	THR	ARG	GLY	VAL	ASP	GLY	SER	PHE	LEU
4	ALA	ARG	PRO	SER	LYS	SER	ASN	PRO	GLY	ASP
5	PHE	THR	LEU	SER	VAL	ARG	ARG	ASN	GLY	ALA
6	VAL	THR	HIS	ILE	LYS	ILE	GLN	ASN	THR	GLY
7	ASP	TYR	TYR	ASP	LEU	TYR	GLY	GLY	GLU	LYS
8	PHE	ALA	THR	LEU	ALA	GLU	LEU	VAL	GLN	TYR
9	TYR	MET	GLU	HIS	HIS	GLY	GLN	LEU	LYS	GLU
10	LYS	ASN	GLY	ASP	VAL	ILE	GLU	LEU	LYS	TYR
11	PRO	LEU	ASN	CYS	ALA	ASP	PRO	THR	SER	GLU
12	ARG	TRP	PHE	HIS	GLY	HIS	LEU	SER	GLY	LYS
13	GLU	ALA	GLU	LYS	LEU	LEU	THR	GLU	LYS	GLY
14	LYS	HIS	GLY	SER	PHE	LEU	VAL	ARG	GLU	SER
15	GLN	SER	HIS	PRO	GLY	ASP	PHE	VAL	LEU	SER
16	VAL	ARG	THR	GLY	ASP	ASP	LYS	GLY	GLU	SER
17	ASN	ASP	GLY	LYS	SER	LYS	VAL	THR	HIS	VAL
18	MET	ILE	ARG	CYS	GLN	GLU	LEU	LYS	TYR	ASP
19	VAL	GLY	GLY	GLY	GLU	ARG	PHE	ASP	SER	LEU
20	THR	ASP	LEU	VAL	GLU	HIS	TYR	LYS	LYS	ASN
21	PRO	MET	VAL	GLU	THR	LEU	GLY	THR	VAL	LEU
22	GLN	LEU	LYS	GLN	PRO	LEU	ASN	THR	THR	ARG