BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 27165

Title: Chemical Shift Assignments of the partially deuterated Fyn SH2-SH3 domain   PubMed: 29224116

Deposition date: 2017-06-30 Original release date: 2017-12-14

Authors: Kieken, Fabien; Loth, Karine; Van Nuland, Nico; Tompa, Peter; Lenaerts, TOM

Citation: Kieken, Fabien; Loth, Karine; Van Nuland, Nico; Tompa, Peter; Lenaerts, TOM. "Chemical shift assignments of the partially deuterated Fyn SH2-SH3 domain"  Biomol. NMR Assign. 12, 117-122 (2018).

Assembly members:
Fyn_Human_SH3-SH2, polymer, 171 residues, Formula weight is not available

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Fyn_Human_SH3-SH2: GSHMTGVTLFVALYDYEART EDDLSFHKGEKFQILNSSEG DWWEARSLTTGETGYIPSNY VAPVDSIQAEEWYFGKLGRK DAERQLLSFGNPRGTFLIRE SETTKGAYSLSIRDWDDMKG DHVKHYKIRKLDNGGYYITT RAQFETLQQLVQHYSERAAG LCCRLVVPCHK

Data sets:
Data typeCount
13C chemical shifts750
15N chemical shifts179
1H chemical shifts1160

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Fyn-SH3SH21

Entities:

Entity 1, Fyn-SH3SH2 171 residues - Formula weight is not available

1   GLYSERHISMETTHRGLYVALTHRLEUPHE
2   VALALALEUTYRASPTYRGLUALAARGTHR
3   GLUASPASPLEUSERPHEHISLYSGLYGLU
4   LYSPHEGLNILELEUASNSERSERGLUGLY
5   ASPTRPTRPGLUALAARGSERLEUTHRTHR
6   GLYGLUTHRGLYTYRILEPROSERASNTYR
7   VALALAPROVALASPSERILEGLNALAGLU
8   GLUTRPTYRPHEGLYLYSLEUGLYARGLYS
9   ASPALAGLUARGGLNLEULEUSERPHEGLY
10   ASNPROARGGLYTHRPHELEUILEARGGLU
11   SERGLUTHRTHRLYSGLYALATYRSERLEU
12   SERILEARGASPTRPASPASPMETLYSGLY
13   ASPHISVALLYSHISTYRLYSILEARGLYS
14   LEUASPASNGLYGLYTYRTYRILETHRTHR
15   ARGALAGLNPHEGLUTHRLEUGLNGLNLEU
16   VALGLNHISTYRSERGLUARGALAALAGLY
17   LEUCYSCYSARGLEUVALVALPROCYSHIS
18   LYS

Samples:

sample_1: Fyn Human SH3-SH2, U-100% 15N, U-100% 13C, 60% 2H, 800 uM; sodium phosphate 50 mM; sodium sulfate 100 mM; B mercapto ethanol 2 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

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

TOPSPIN, Bruker Biospin - processing

CCPNMR, CCPN - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts