BMRB Entry 28072

Name: Backbone resonances of the cSH2 domain of SHP2 in complex with the ITIM of PD-1
Published: 2020-11-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28072

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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 cSH2 domain of SHP2 in complex with the ITIM 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:
cSH2, polymer, 119 residues, 13283.9213 Da.
ITIM, polymer, 11 residues, 1396.34276 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):
cSH2: GPMADPTSERWFHGHLSGKE AEKLLTEKGKHGSFLVRESQ SHPGDFVLSVRTGDDKGESN DGKSKVTHVMIRCQELKYDV GGGERFDSLTDLVEHYKKNP MVETLGTVLQLKQPLNTTR
ITIM: FSVDXGELDFQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	222
15N chemical shifts	107
1H chemical shifts	107

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cSH2	1
2	ITIM	2

Entities:

Entity 1, cSH2 119 residues - 13283.9213 Da.

1

GLY

PRO

MET

ALA

ASP

PRO

THR

SER

GLU

ARG

2

TRP

PHE

HIS

GLY

HIS

LEU

SER

GLY

LYS

GLU

3

ALA

GLU

LYS

LEU

THR

GLU

LYS

GLY

LYS

4

HIS

GLY

SER

PHE

LEU

VAL

ARG

GLU

SER

GLN

5

SER

HIS

PRO

GLY

ASP

PHE

VAL

LEU

SER

VAL

6

ARG

THR

GLY

ASP

LYS

GLY

GLU

SER

ASN

7

ASP

GLY

LYS

SER

LYS

VAL

THR

HIS

VAL

MET

8

ILE

ARG

CYS

GLN

GLU

LEU

LYS

TYR

ASP

VAL

9

GLY

GLU

ARG

PHE

ASP

SER

LEU

THR

10

ASP

LEU

VAL

GLU

HIS

TYR

LYS

ASN

PRO

11

MET

VAL

GLU

THR

LEU

GLY

THR

VAL

LEU

GLN

12

LEU

LYS

GLN

PRO

LEU

ASN

THR

ARG

Entity 2, ITIM 11 residues - 1396.34276 Da.

1

PHE

SER

VAL

ASP

PTR

GLY

GLU

LEU

ASP

PHE

2

GLN

Samples:

cSH2-ITIM_1: cSH2, [U-13C; U-15N], 0.8 mM; MES 100.0 mM; NaCl 150.0 mM; TCEP 3.0 mM; ITIM 1.6 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	cSH2-ITIM_1	isotropic	Standard
3D HNCACB	cSH2-ITIM_1	isotropic	Standard
cSH2-ITIM-HNCOCACB (H[N[co[{CA\|ca[C]}]]])	cSH2-ITIM_1	isotropic	Standard

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