BMRB Entry 27520

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27520

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for SHP2 (1-529)
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-fl-deltaC, polymer, 532 residues, 60930.8584 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: pET28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
shp2-fl-deltaC: GSGMTSRRWFHPNITGVEAE NLLLTRGVDGSFLARPSKSN PGDFTLSVRRNGAVTHIKIQ NTGDYYDLYGGEKFATLAEL VQYYMEHHGQLKEKNGDVIE LKYPLNCADPTSERWFHGHL SGKEAEKLLTEKGKHGSFLV RESQSHPGDFVLSVRTGDDK GESNDGKSKVTHVMIRCQEL KYDVGGGERFDSLTDLVEHY KKNPMVETLGTVLQLKQPLN TTRINAAEIESRVRELSKLA ETTDKVKQGFWEEFETLQQQ ECKLLYSRKEGQRQENKNKN RYKNILPFDHTRVVLHDGDP NEPVSDYINANIIMPEFETK CNNSKPKKSYIATQGCLQNT VNDFWRMVFQENSRVIVMTT KEVERGKSKCVKYWPDEYAL KEYGVMRVRNVKESAAHDYT LRELKLSKVGQGNTERTVWQ YHFRTWPDHGVPSDPGGVLD FLEEVHHKQESIMDAGPVVV HCSAGIGRTGTFIVIDILID IIREKGVDCDIDVPKTIQMV RSQRSGMVQTEAQYRFIYMA VQHYIETLQRRI

Data sets:
Data typeCount
13C chemical shifts934
15N chemical shifts316
1H chemical shifts316

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1shp2-fl-deltaC1

Entities:

Entity 1, shp2-fl-deltaC 532 residues - 60930.8584 Da.

Residue 1-3 represent a non-native sequence to facilitate TEV cleavage.

1   GLYSERGLYMETTHRSERARGARGTRPPHE
2   HISPROASNILETHRGLYVALGLUALAGLU
3   ASNLEULEULEUTHRARGGLYVALASPGLY
4   SERPHELEUALAARGPROSERLYSSERASN
5   PROGLYASPPHETHRLEUSERVALARGARG
6   ASNGLYALAVALTHRHISILELYSILEGLN
7   ASNTHRGLYASPTYRTYRASPLEUTYRGLY
8   GLYGLULYSPHEALATHRLEUALAGLULEU
9   VALGLNTYRTYRMETGLUHISHISGLYGLN
10   LEULYSGLULYSASNGLYASPVALILEGLU
11   LEULYSTYRPROLEUASNCYSALAASPPRO
12   THRSERGLUARGTRPPHEHISGLYHISLEU
13   SERGLYLYSGLUALAGLULYSLEULEUTHR
14   GLULYSGLYLYSHISGLYSERPHELEUVAL
15   ARGGLUSERGLNSERHISPROGLYASPPHE
16   VALLEUSERVALARGTHRGLYASPASPLYS
17   GLYGLUSERASNASPGLYLYSSERLYSVAL
18   THRHISVALMETILEARGCYSGLNGLULEU
19   LYSTYRASPVALGLYGLYGLYGLUARGPHE
20   ASPSERLEUTHRASPLEUVALGLUHISTYR
21   LYSLYSASNPROMETVALGLUTHRLEUGLY
22   THRVALLEUGLNLEULYSGLNPROLEUASN
23   THRTHRARGILEASNALAALAGLUILEGLU
24   SERARGVALARGGLULEUSERLYSLEUALA
25   GLUTHRTHRASPLYSVALLYSGLNGLYPHE
26   TRPGLUGLUPHEGLUTHRLEUGLNGLNGLN
27   GLUCYSLYSLEULEUTYRSERARGLYSGLU
28   GLYGLNARGGLNGLUASNLYSASNLYSASN
29   ARGTYRLYSASNILELEUPROPHEASPHIS
30   THRARGVALVALLEUHISASPGLYASPPRO
31   ASNGLUPROVALSERASPTYRILEASNALA
32   ASNILEILEMETPROGLUPHEGLUTHRLYS
33   CYSASNASNSERLYSPROLYSLYSSERTYR
34   ILEALATHRGLNGLYCYSLEUGLNASNTHR
35   VALASNASPPHETRPARGMETVALPHEGLN
36   GLUASNSERARGVALILEVALMETTHRTHR
37   LYSGLUVALGLUARGGLYLYSSERLYSCYS
38   VALLYSTYRTRPPROASPGLUTYRALALEU
39   LYSGLUTYRGLYVALMETARGVALARGASN
40   VALLYSGLUSERALAALAHISASPTYRTHR
41   LEUARGGLULEULYSLEUSERLYSVALGLY
42   GLNGLYASNTHRGLUARGTHRVALTRPGLN
43   TYRHISPHEARGTHRTRPPROASPHISGLY
44   VALPROSERASPPROGLYGLYVALLEUASP
45   PHELEUGLUGLUVALHISHISLYSGLNGLU
46   SERILEMETASPALAGLYPROVALVALVAL
47   HISCYSSERALAGLYILEGLYARGTHRGLY
48   THRPHEILEVALILEASPILELEUILEASP
49   ILEILEARGGLULYSGLYVALASPCYSASP
50   ILEASPVALPROLYSTHRILEGLNMETVAL
51   ARGSERGLNARGSERGLYMETVALGLNTHR
52   GLUALAGLNTYRARGPHEILETYRMETALA
53   VALGLNHISTYRILEGLUTHRLEUGLNARG
54   ARGILE

Samples:

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

shp2-fl_partially-deuterated: shp2-fl-deltaC, [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: 308.000 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOshp2-fl_partially-deuteratedisotropicDefault
3D HNCAshp2-fl_partially-deuteratedisotropicDefault
2D 1H-15N HSQC/HMQCshp2-fl_fully-deuteratedisotropicDefault
3D HNCACBshp2-fl_fully-deuteratedisotropicDefault

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

Related Database Links:

Uniprot Q06124-2
AlphaFold Q96HD7

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