BMRB Entry 27521

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for the phosphatase domain of SHP2 (216-529)
Published: 2018-11-16

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27521

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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 1H, 13C, and 15N Chemical Shift Assignments for the phosphatase domain of SHP2 (216-529)

Deposition date:

2018-06-14

Original release date:

2018-11-16

Authors:

Sun, Yizhi; Kern, Dorothee

Citation:

Citation: Padua, Ricardo; Sun, Yizhi; Marko, Ingrid; Pitsawong, Warintra; Stiller, John; Otten, Renee; Kern, Dorothee. "Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2" Nat. Commun. 9, 4507-4507 (2018).
PubMed: 30375376

Assembly members:

Assembly members:
shp2-cd5, polymer, 321 residues, 37470.5467 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: pLATE31

Entity Sequences (FASTA):

Entity Sequences (FASTA):
shp2-cd5: MLNTTRINAAEIESRVRELS KLAETTDKVKQGFWEEFETL QQQECKLLYSRKEGQRQENK NKNRYKNILPFDHTRVVLHD GDPNEPVSDYINANIIMPEF ETKCNNSKPKKSYIATQGCL QNTVNDFWRMVFQENSRVIV MTTKEVERGKSKCVKYWPDE YALKEYGVMRVRNVKESAAH DYTLRELKLSKVGQGNTERT VWQYHFRTWPDHGVPSDPGG VLDFLEEVHHKQESIMDAGP VVVHCSAGIGRTGTFIVIDI LIDIIREKGVDCDIDVPKTI QMVRSQRSGMVQTEAQYRFI YMAVQHYIETLQRRIENLYF Q

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list
spectral_peak_list

Data type	Count
13C chemical shifts	591
15N chemical shifts	195
1H chemical shifts	195

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	shp2-cd5	1

Entities:

Entity 1, shp2-cd5 321 residues - 37470.5467 Da.

Residue 1 is a non-native residue and installed for proper translation initiation. The last six residues are installed for TEV cleavage.

1

MET

LEU

ASN

THR

ARG

ILE

ASN

ALA

2

GLU

ILE

GLU

SER

ARG

VAL

ARG

GLU

LEU

SER

3

LYS

LEU

ALA

GLU

THR

ASP

LYS

VAL

LYS

4

GLN

GLY

PHE

TRP

GLU

PHE

GLU

THR

LEU

5

GLN

GLU

CYS

LYS

LEU

TYR

SER

6

ARG

LYS

GLU

GLY

GLN

ARG

GLN

GLU

ASN

LYS

7

ASN

LYS

ASN

ARG

TYR

LYS

ASN

ILE

LEU

PRO

8

PHE

ASP

HIS

THR

ARG

VAL

LEU

HIS

ASP

9

GLY

ASP

PRO

ASN

GLU

PRO

VAL

SER

ASP

TYR

10

ILE

ASN

ALA

ASN

ILE

MET

PRO

GLU

PHE

11

GLU

THR

LYS

CYS

ASN

SER

LYS

PRO

LYS

12

LYS

SER

TYR

ILE

ALA

THR

GLN

GLY

CYS

LEU

13

GLN

ASN

THR

VAL

ASN

ASP

PHE

TRP

ARG

MET

14

VAL

PHE

GLN

GLU

ASN

SER

ARG

VAL

ILE

VAL

15

MET

THR

LYS

GLU

VAL

GLU

ARG

GLY

LYS

16

SER

LYS

CYS

VAL

LYS

TYR

TRP

PRO

ASP

GLU

17

TYR

ALA

LEU

LYS

GLU

TYR

GLY

VAL

MET

ARG

18

VAL

ARG

ASN

VAL

LYS

GLU

SER

ALA

HIS

19

ASP

TYR

THR

LEU

ARG

GLU

LEU

LYS

LEU

SER

20

LYS

VAL

GLY

GLN

GLY

ASN

THR

GLU

ARG

THR

21

VAL

TRP

GLN

TYR

HIS

PHE

ARG

THR

TRP

PRO

22

ASP

HIS

GLY

VAL

PRO

SER

ASP

PRO

GLY

23

VAL

LEU

ASP

PHE

LEU

GLU

VAL

HIS

24

LYS

GLN

GLU

SER

ILE

MET

ASP

ALA

GLY

PRO

25

VAL

HIS

CYS

SER

ALA

GLY

ILE

GLY

26

ARG

THR

GLY

THR

PHE

ILE

VAL

ILE

ASP

ILE

27

LEU

ILE

ASP

ILE

ARG

GLU

LYS

GLY

VAL

28

ASP

CYS

ASP

ILE

ASP

VAL

PRO

LYS

THR

ILE

29

GLN

MET

VAL

ARG

SER

GLN

ARG

SER

GLY

MET

30

VAL

GLN

THR

GLU

ALA

GLN

TYR

ARG

PHE

ILE

31

TYR

MET

ALA

VAL

GLN

HIS

TYR

ILE

GLU

THR

32

LEU

GLN

ARG

ILE

GLU

ASN

LEU

TYR

PHE

33

GLN

Samples:

shp2-cd5_fully-deuterated: SHP2-CD5, [U-13C; U-15N; U-2H], 0.2 mM; ADA 50 mM; TCEP 2 mM; H2O 90%; D2O 10%

Default: ionic strength: 0.100 M; pH: 6.500; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	shp2-cd5_fully-deuterated	isotropic	Default
3D HNCO	shp2-cd5_fully-deuterated	isotropic	Default
3D HNCA	shp2-cd5_fully-deuterated	isotropic	Default
3D HNCACB	shp2-cd5_fully-deuterated	isotropic	Default

Software:

CcpNmr_Analysis v2.4, CCPN - Spetrum analysis, Spetrum display

nmrPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum processing

NMR spectrometers:

Bruker Avance II 800 MHz

UniProt	Q06124-2
AlphaFold	Q96HD7