BMRB Entry 50128

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50128

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Title:
SUMO1 flavonoids
Deposition date:
2019-12-14
Original release date:
2020-09-19
Authors:
Velazhahan, Vaithish; Schrick, Kathrin; Prakash, Om
Citation:

Citation: Velazhahan, Vaithish; Glaza, Przemyslaw; Herrera, Alvaro; Prakash, Om; Zolkiewski, Michal; Geisbrecht, Brian; Schrick, Kathrin. "Dietary flavonoid fisetin binds human SUMO1 and blocks sumoylation of p53"  .

Assembly members:

Assembly members:
entity_1, polymer, 97 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: Addgene #53138

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSDQEAKPSTEDLGDKKEGE YIKLKVIGQDSSEIHFKVKM TTHLKKLKESYCQRQGVPMN SLRFLFEGQRIADNHTPKEL GMEEEDVIEVYQEQTGG

Data typeCount
15N chemical shifts1144
1H chemical shifts1144

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SUMO11

Entities:

Entity 1, SUMO1 97 residues - Formula weight is not available

Chemical shifts for residues 1M, 2S, 3D, 4Q, T41, and A72 were not assigned.

1   METSERASPGLNGLUALALYSPROSERTHR
2   GLUASPLEUGLYASPLYSLYSGLUGLYGLU
3   TYRILELYSLEULYSVALILEGLYGLNASP
4   SERSERGLUILEHISPHELYSVALLYSMET
5   THRTHRHISLEULYSLYSLEULYSGLUSER
6   TYRCYSGLNARGGLNGLYVALPROMETASN
7   SERLEUARGPHELEUPHEGLUGLYGLNARG
8   ILEALAASPASNHISTHRPROLYSGLULEU
9   GLYMETGLUGLUGLUASPVALILEGLUVAL
10   TYRGLNGLUGLNTHRGLYGLY

Samples:

sample_1: SUMO1, [U-15N], 200 uM; DMSO 6.56 uL; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_2: SUMO1, [U-15N], 200 uM; DMSO 13.26 uL; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_3: SUMO1, [U-15N], 200 uM; DMSO 20.09 uL; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_4: SUMO1, [U-15N], 200 uM; DMSO 27.04 uL; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_5: SUMO1, [U-15N], 200 uM; DMSO 30.59 uL; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_6: SUMO1, [U-15N], 200 uM; Fisetin 100 uM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_7: SUMO1, [U-15N], 200 uM; Fisetin 200 uM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_8: SUMO1, [U-15N], 200 uM; Fisetin 300 uM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_9: SUMO1, [U-15N], 200 uM; Fisetin 400 uM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_10: SUMO1, [U-15N], 200 uM; Fisetin 450 uM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_11: SUMO1, [U-15N], 100 uM; Quercetin 200 uM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_12: SUMO1, [U-15N], 100 uM; Kaempferol 200 uM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_13: SUMO1, [U-15N], 100 uM; DMSO 6.67 uL; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; EDTA 0.1 mM; sodium azide 0.001%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_2: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_3: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_4: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_5: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_6: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_7: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_8: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_9: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_10: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_11: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_12: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

sample_conditions_13: ionic strength: 0.05 M; pH: 6.4; pressure: 1 atm; temperature: 290 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D 1H-15N HSQCsample_3isotropicsample_conditions_3
2D 1H-15N HSQCsample_4isotropicsample_conditions_4
2D 1H-15N HSQCsample_5isotropicsample_conditions_5
2D 1H-15N HSQCsample_6isotropicsample_conditions_6
2D 1H-15N HSQCsample_7isotropicsample_conditions_7
2D 1H-15N HSQCsample_8isotropicsample_conditions_8
2D 1H-15N HSQCsample_9isotropicsample_conditions_9
2D 1H-15N HSQCsample_10isotropicsample_conditions_10
2D 1H-15N HSQCsample_13isotropicsample_conditions_11
2D 1H-15N HSQCsample_11isotropicsample_conditions_12
2D 1H-15N HSQCsample_12isotropicsample_conditions_13

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian UnityPlus 500 MHz

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