BMRB Entry 17369

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17369

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Title:
Fyn SH2 bound form
Deposition date:
2010-12-20
Original release date:
2011-02-09
Authors:
Huculeci, Radu; Buts, Lieven; Lenaerts, Tom; van Nuland, Nico
Citation:

Citation: Huculeci, Radu; Buts, Lieven; Lenaerts, Tom; van Nuland, Nico. "1H, 13C and 15N backbone and side-chain chemical shift assignment of the Fyn SH2 domain and its complex with a phosphotyrosine peptide."  Biomol. NMR Assignments 5, 181-184 (2011).
PubMed: 21298565

Assembly members:

Assembly members:
FynSH2_correct, polymer, 112 residues, 13248.1101 Da.
peptide, polymer, 13 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: pColdII

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FynSH2_correct: NHKVHHHHHHMEWYFGKLGR KDAERQLLSFGNPRGTFLIR ESETTKGAYSLSIRDWDDMK GDHVKHYKIRKLDNGGYYIT TRAQFETLQQLVQHYSERAA GLCCRLVVPCHK
peptide: XEPQXEEIPIYLX

Data sets:
Data typeCount
13C chemical shifts472
15N chemical shifts112
1H chemical shifts732

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1FynSH2 correct1
2phosphotyrosine peptide2

Entities:

Entity 1, FynSH2 correct 112 residues - 13248.1101 Da.

1   ASNHISLYSVALHISHISHISHISHISHIS
2   METGLUTRPTYRPHEGLYLYSLEUGLYARG
3   LYSASPALAGLUARGGLNLEULEUSERPHE
4   GLYASNPROARGGLYTHRPHELEUILEARG
5   GLUSERGLUTHRTHRLYSGLYALATYRSER
6   LEUSERILEARGASPTRPASPASPMETLYS
7   GLYASPHISVALLYSHISTYRLYSILEARG
8   LYSLEUASPASNGLYGLYTYRTYRILETHR
9   THRARGALAGLNPHEGLUTHRLEUGLNGLN
10   LEUVALGLNHISTYRSERGLUARGALAALA
11   GLYLEUCYSCYSARGLEUVALVALPROCYS
12   HISLYS

Entity 2, phosphotyrosine peptide 13 residues - Formula weight is not available

1   ACEGLUPROGLNPTRGLUGLUILEPROILE
2   TYRLEUNH2

Samples:

sample_1: FynSH2_correct, [U-98% 13C; U-98% 15N], 0.8 mM; phosphotyrosine peptide 0.8 mM; H2O 93 mM; D2O 7 mM

sample_condition_1: ionic strength: 0.050 M; pH: 6.500; pressure: 1.000 atm; temperature: 298.150 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_condition_1
3D HNCACBsample_1isotropicsample_condition_1
3D HBHA(CO)NHsample_1isotropicsample_condition_1
3D C(CO)NHsample_1isotropicsample_condition_1
3D HCCH-TOCSYsample_1isotropicsample_condition_1
2D 1H-13C HSQC/HMQCsample_1isotropicsample_condition_1
CBcgcdceHE (hbCBcgcdceHE)sample_1isotropicsample_condition_1
CBcgcdHD (hbCBcgcdHD)sample_1isotropicsample_condition_1
2D 1H-1H TOCSYsample_1isotropicsample_condition_1
2D 1H-1H NOESYsample_1isotropicsample_condition_1
3D 1H-15N NOESYsample_1isotropicsample_condition_1
3D 1H-13C NOESYsample_1isotropicsample_condition_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_condition_1

Software:

ANALYSIS v2.1, CCPN - Assignment

DANGLE v1.1, CCPN - Secondary Structure Prediction

NMRPipe vany, Delaglio - Spectrum processing

NMR spectrometers:

  • Varian Varian NMR Systems 800 MHz
  • Varian Varian NMR Systems 600 MHz

Related Database Links:

BMRB 17368 25081
PDB
DBJ BAE33766 BAG70107 BAG70240 BAI46902
EMBL CAA36435
GB AAA36615 AAA49719 AAA82942 AAC08285 AAH32496
REF NP_001071440 NP_001073675 NP_001079077 NP_001080120 NP_001116365
SP A0JNB0 A1Y2K1 P06241 P13406 P39688
TPG DAA26259
AlphaFold A0JNB0 A1Y2K1 P06241 P13406 P39688

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