BMRB Entry 25082

Title:
Fyn SH2 domain in complex with the natural inhibitory phosphotyrosine peptide
Deposition date:
2014-07-09
Original release date:
2015-07-13
Authors:
Huculeci, Radu; Buts, Lieven; Lenaerts, Tom; van Nuland, Nico
Citation:

Citation: Huculeci, Radu; Cilia, Elisa; Buts, Lieven; Houben, Klaartje; van Nuland, Nico; Lenaerts, Tom. "Dynamically coupled residues within the SH2 domain of FYN are key to unlock its activity"  .

Assembly members:

Assembly members:
entity_1, polymer, 122 residues, 11690.439 Da.
entity_2, polymer, 10 residues, 1254.209 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: pET15b

Data sets:
Data typeCount
1H chemical shifts57

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Fyn SH2 domain1
2natural inhibitory phosphotyrosine peptide2

Entities:

Entity 1, Fyn SH2 domain 122 residues - 11690.439 Da.

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

Entity 2, natural inhibitory phosphotyrosine peptide 10 residues - 1254.209 Da.

1   GLUPROGLNPTRGLNPROGLYGLUASNLEU

Samples:

sample_1: entity_1, [U-99% 13C; U-99% 15N], 0.93 mM; entity_2 1.2 mM

sample_conditions_1: ionic strength: 0 M; pH: 6.50; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CCPNMR, CCPN - chemical shift assignment, peak picking

HADDOCK, Alexandre Bonvin - refinement, structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMR spectrometers:

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

Related Database Links:

BMRB 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 Q8N5D7 P39688 A1Y2K1 A0JNB0 P13406 P06241