BMRB Entry 52913

Name: Backbone (1H and 15N) Chemical Shift Perturbations of Fused in Sarcoma Low-Complexity Domain in different 2.5%w/v and 5%w/v solutions of Alkanediols
Published: 2025-04-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52913

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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:

Backbone (1H and 15N) Chemical Shift Perturbations of Fused in Sarcoma Low-Complexity Domain in different 2.5%w/v and 5%w/v solutions of Alkanediols

Deposition date:

2025-02-15

Original release date:

2025-04-02

Authors:

Zheng, Tongyin; Wake, Noah; Weng, Shuo-Lin; Perdikari, Theodora; Murthy, Anastasia; Mittal, Jeetain; Fawzi, Nicolas

Citation:

Citation: Zheng, Tongyin; Wake, Noah; Weng, Shuo-Lin; Perdikari, Theodora; Murthy, Anastasia; Mittal, Jeetain; Fawzi, Nicolas. "Molecular insights into the effect of hexanediol on FUS phase separation" EMBO J. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 163 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: BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MASNDYTQQATQSYGAYPTQ PGQGYSQQSSQPYGQQSYSG YSQSTDTSGYGQSSYSSYGQ SQNTGYGTQSTPQGYGSTGG YGSSQSSQSSYGQQSSYPGY GQQPAPSSTSGSYGSSSQSS SYGQPQSGSYSQQPSYGGQQ QSYGQQQSYNPPQGYGQQNQ YNS

Data sets:

assigned_chemical_shifts

Data type	Count
15N chemical shifts	2368
1H chemical shifts	2368

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	FUS LC	1

Entities:

Entity 1, FUS LC 163 residues - Formula weight is not available

1

MET

ALA

SER

ASN

ASP

TYR

THR

GLN

ALA

2

THR

GLN

SER

TYR

GLY

ALA

TYR

PRO

THR

GLN

3

PRO

GLY

GLN

GLY

TYR

SER

GLN

SER

4

GLN

PRO

TYR

GLY

GLN

SER

TYR

SER

GLY

5

TYR

SER

GLN

SER

THR

ASP

THR

SER

GLY

TYR

6

GLY

GLN

SER

TYR

SER

TYR

GLY

GLN

7

SER

GLN

ASN

THR

GLY

TYR

GLY

THR

GLN

SER

8

THR

PRO

GLN

GLY

TYR

GLY

SER

THR

GLY

9

TYR

GLY

SER

GLN

SER

GLN

SER

10

TYR

GLY

GLN

SER

TYR

PRO

GLY

TYR

11

GLY

GLN

PRO

ALA

PRO

SER

THR

SER

12

GLY

SER

TYR

GLY

SER

GLN

SER

13

SER

TYR

GLY

GLN

PRO

GLN

SER

GLY

SER

TYR

14

SER

GLN

PRO

SER

TYR

GLY

GLN

15

GLN

SER

TYR

GLY

GLN

SER

TYR

ASN

16

PRO

GLN

GLY

TYR

GLY

GLN

ASN

GLN

17

TYR

ASN

SER

Samples:

sample_1: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,6 Hexanediol 2.5 % w/v

sample_2: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,6 Hexanediol 5 % w/v

sample_3: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 2,5-Hexanediol 2.5 % w/v

sample_4: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,2-cyclohexanediol 2.5 % w/v

sample_5: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,2 Hexanediol 5 % w/v

sample_6: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,5-Pentanediol 2.5 % w/v

sample_7: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,5-Pentanediol 5 % w/v

sample_8: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,4-Butanediol 2.5 % w/v

sample_9: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,4-Butanediol 5 % w/v

sample_10: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,2 Hexanediol 2.5 % w/v

sample_11: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 1,2-cyclohexanediol 5 % w/v

sample_12: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM; 2,5-Hexanediol 5 % w/v

sample_13: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM

sample_14: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM

sample_15: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM

sample_16: Fused in Sarcoma Low Complexity Domain, [U-100% 13C; U-100% 15N], 30 uM; H2O 90%; D2O, [U-2H], 10%; MES 50 mM; CAPS 2 mM; DSS 0.1 mM; sodium chloride 150 mM

sample_conditions_1: ionic strength: 150 mM; pH: 5.5; pressure: 1 atm; temperature: 298 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_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_5	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_6	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_7	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_8	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_9	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_10	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_11	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_12	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_13	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_14	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_15	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_16	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

CcpNMR - chemical shift calculation

NMR spectrometers:

Bruker AVANCE III 850 MHz

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