BMRB Entry 28075

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28075

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Title:
Backbone resonances of the tSH2 domain in complex with the bidentate ITIM-ITSM peptide of PD-1. ITIM-bound state.
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, 222 residues, 24912.9987 Da.
ITIM-ITSM, polymer, 24 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Tandem: GPMASRRWFHPNITGVEAEN LLLTRGVDGSFLARPSKSNP GDFTLSVRRNGAVTHIKIQN TGDYYDLYGGEKFATLAELV QYYMEHHGQLKEKNGDVIEL KYPLNCADPTSERWFHGHLS GKEAEKLLTEKGKHGSFLVR ESQSHPGDFVLSVRTGDDKG ESNDGKSKVTHVMIRCQELK YDVGGGERFDSLTDLVEHYK KNPMVETLGTVLQLKQPLNT TR
ITIM-ITSM: FSVDXGELDFQXXEQTEXAT IVFP

Data sets:
Data typeCount
13C chemical shifts569
15N chemical shifts193
1H chemical shifts193

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Tandem1
2ITIM-ITSM2

Entities:

Entity 1, Tandem 222 residues - 24912.9987 Da.

1   GLYPROMETALASERARGARGTRPPHEHIS
2   PROASNILETHRGLYVALGLUALAGLUASN
3   LEULEULEUTHRARGGLYVALASPGLYSER
4   PHELEUALAARGPROSERLYSSERASNPRO
5   GLYASPPHETHRLEUSERVALARGARGASN
6   GLYALAVALTHRHISILELYSILEGLNASN
7   THRGLYASPTYRTYRASPLEUTYRGLYGLY
8   GLULYSPHEALATHRLEUALAGLULEUVAL
9   GLNTYRTYRMETGLUHISHISGLYGLNLEU
10   LYSGLULYSASNGLYASPVALILEGLULEU
11   LYSTYRPROLEUASNCYSALAASPPROTHR
12   SERGLUARGTRPPHEHISGLYHISLEUSER
13   GLYLYSGLUALAGLULYSLEULEUTHRGLU
14   LYSGLYLYSHISGLYSERPHELEUVALARG
15   GLUSERGLNSERHISPROGLYASPPHEVAL
16   LEUSERVALARGTHRGLYASPASPLYSGLY
17   GLUSERASNASPGLYLYSSERLYSVALTHR
18   HISVALMETILEARGCYSGLNGLULEULYS
19   TYRASPVALGLYGLYGLYGLUARGPHEASP
20   SERLEUTHRASPLEUVALGLUHISTYRLYS
21   LYSASNPROMETVALGLUTHRLEUGLYTHR
22   VALLEUGLNLEULYSGLNPROLEUASNTHR
23   THRARG

Entity 2, ITIM-ITSM 24 residues - Formula weight is not available

1   PHESERVALASPPTRGLYGLULEUASPPHE
2   GLNP4KP4KGLUGLNTHRGLUPTRALATHR
3   ILEVALPHEPRO

Samples:

tSH2_ITIM-ITSM_1: Tandem, [U-13C; U-15N; U-2H], 0.50 mM; ITIM-ITSM peptide 0.75 mM; MES 100.00 mM; NaCl 150.00 mM; TCEP 3.00 mM

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

Experiments:

NameSampleSample stateSample conditions
3D HNCOtSH2_ITIM-ITSM_1isotropicStandard
2D 1H-15N HSQC/HMQCtSH2_ITIM-ITSM_1isotropicStandard
3D HN(CO)CAtSH2_ITIM-ITSM_1isotropicStandard
tandem-pep8-HN(COCA)CB (H[N[co[{CA|ca[C]}]]])tSH2_ITIM-ITSM_1isotropicStandard
3D HNCACBtSH2_ITIM-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
  • 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