BMRB Entry 28073

Title:
Backbone resonances of the nSH2 domain of SHP2 in complex with the ITSM of PD-1
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:
nSH2, polymer, 107 residues, 12003.5316 Da.
ITSM, polymer, 11 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: pETM22

Data sets:
Data typeCount
13C chemical shifts200
15N chemical shifts98
1H chemical shifts98

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1nSH21
2ITSM2

Entities:

Entity 1, nSH2 107 residues - 12003.5316 Da.

1   GLYPROMETALASERARGARGTRPPHEHIS
2   PROASNILETHRGLYVALGLUALAGLUASN
3   LEULEULEUTHRARGGLYVALASPGLYSER
4   PHELEUALAARGPROSERLYSSERASNPRO
5   GLYASPPHETHRLEUSERVALARGARGASN
6   GLYALAVALTHRHISILELYSILEGLNASN
7   THRGLYASPTYRTYRASPLEUTYRGLYGLY
8   GLULYSPHEALATHRLEUALAGLULEUVAL
9   GLNTYRTYRMETGLUHISHISGLYGLNLEU
10   LYSGLULYSASNGLYASPVALILEGLULEU
11   LYSTYRPROLEUASNCYSALA

Entity 2, ITSM 11 residues - Formula weight is not available

1   GLUGLNTHRGLUPTRALATHRILEVALPHE
2   PRO

Samples:

nSH2-ITSM_1: nSH2, [U-13C; U-15N], 0.8 mM; ITSM 1.6 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:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCnSH2-ITSM_1isotropicStandard
3D HNCACBnSH2-ITSM_1isotropicStandard
HNCOCACB (H[N[co[{CA|ca[C]}]]])nSH2-ITSM_1isotropicStandard

Software:

CcpNmr_Analysis v2.4, CCPN - peak picking, 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

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