BMRB Entry 50128

Name: SUMO1 flavonoids
Published: 2020-09-19

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

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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 sets:

assigned_chemical_shifts

Data type	Count
15N chemical shifts	1144
1H chemical shifts	1144

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SUMO1	1

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

MET

SER

ASP

GLN

GLU

ALA

LYS

PRO

SER

THR

2

GLU

ASP

LEU

GLY

ASP

LYS

GLU

GLY

GLU

3

TYR

ILE

LYS

LEU

LYS

VAL

ILE

GLY

GLN

ASP

4

SER

GLU

ILE

HIS

PHE

LYS

VAL

LYS

MET

5

THR

HIS

LEU

LYS

LEU

LYS

GLU

SER

6

TYR

CYS

GLN

ARG

GLN

GLY

VAL

PRO

MET

ASN

7

SER

LEU

ARG

PHE

LEU

PHE

GLU

GLY

GLN

ARG

8

ILE

ALA

ASP

ASN

HIS

THR

PRO

LYS

GLU

LEU

9

GLY

MET

GLU

ASP

VAL

ILE

GLU

VAL

10

TYR

GLN

GLU

GLN

THR

GLY

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_3
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_4
2D 1H-15N HSQC	sample_5	isotropic	sample_conditions_5
2D 1H-15N HSQC	sample_6	isotropic	sample_conditions_6
2D 1H-15N HSQC	sample_7	isotropic	sample_conditions_7
2D 1H-15N HSQC	sample_8	isotropic	sample_conditions_8
2D 1H-15N HSQC	sample_9	isotropic	sample_conditions_9
2D 1H-15N HSQC	sample_10	isotropic	sample_conditions_10
2D 1H-15N HSQC	sample_13	isotropic	sample_conditions_11
2D 1H-15N HSQC	sample_11	isotropic	sample_conditions_12
2D 1H-15N HSQC	sample_12	isotropic	sample_conditions_13

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