BMRB: 34258

Solution structure of FUS-ZnF bound to UGGUG

Authors

Loughlin, F.E., Allain, F.H.-T.

Assembly

RNA-binding protein FUS/RNA Complex

Entity

1. RNA-binding protein FUS/RNA Complex, entity 1 (polymer, Thiol state: all other bound), 41 monomers, 4522.969 Da Detail

GPLGSGQQRA GDWKCPNPTC ENMNFSWRNE CNQCKAPKPD G

2. RNA-binding protein FUS/RNA Complex, entity 2 (polymer, Thiol state: not present), 5 monomers, 1665.964 Da Detail

UGGUG

3. RNA-binding protein FUS/RNA Complex, entity ZN (non-polymer), 65.409 Da

Total weight

6254.3423 Da

Max. entity weight

4522.969 Da

Entity Connection

na 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS15:SG	3:ZN1:ZN
2	na	sing	1:CYS20:SG	3:ZN1:ZN
3	na	sing	1:CYS31:SG	3:ZN1:ZN
4	na	sing	1:CYS34:SG	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 89.1 %, Completeness: 76.9 %, Completeness (bb): 66.7 % Detail

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Polymer type: polypeptide(L) polyribonucleotide

	Total	1H	13C	15N
All	76.9 % (416 of 541)	84.5 % (246 of 291)	62.3 % (124 of 199)	90.2 % (46 of 51)
Backbone	66.7 % (194 of 291)	71.4 % (80 of 112)	54.5 % (78 of 143)	100.0 % (36 of 36)
Sidechain	90.2 % (258 of 286)	92.7 % (166 of 179)	89.1 % (82 of 92)	66.7 % (10 of 15)
Aromatic	53.4 % (31 of 58)	58.6 % (17 of 29)	54.5 % (12 of 22)	28.6 % (2 of 7)
Methyl	100.0 % (10 of 10)	100.0 % (5 of 5)	100.0 % (5 of 5)

1. entity 1

GPLGSGQQRA GDWKCPNPTC ENMNFSWRNE CNQCKAPKPD G

2. entity 2

UGGUG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 0.8 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 1.0 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	FUS-ZnF	[U-99% 13C; U-99% 15N]		0.8 mM
2	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		1.0 mM
3	sodium phosphate	natural abundance		20 mM
4	beta-mercaptoethanol	natural abundance		1 mM

Sample #2

Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 0.8 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 1.0 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 100% D2O

#	Name	Isotope labeling	Type	Concentration
5	FUS-ZnF	[U-99% 13C; U-99% 15N]		0.8 mM
6	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		1.0 mM
7	sodium phosphate	natural abundance		20 mM
8	beta-mercaptoethanol	natural abundance		1 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 1.0 mM [U-99% 15N] FUS-ZnF, 0.9 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
9	FUS-ZnF	[U-99% 15N]		1.0 mM
10	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		0.9 mM
11	sodium phosphate	natural abundance		20 mM
12	beta-mercaptoethanol	natural abundance		1 mM

Sample #4

Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 1.0 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 0.9 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 100% D2O

#	Name	Isotope labeling	Type	Concentration
13	FUS-ZnF	[U-99% 13C; U-99% 15N]		1.0 mM
14	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		0.9 mM
15	sodium phosphate	natural abundance		20 mM
16	beta-mercaptoethanol	natural abundance		1 mM

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Chem. Shift Complete2

Sequence coverage: 30.4 %, Completeness: 48.0 %, Completeness (bb): 47.9 % Detail

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Polymer type: polypeptide(L) polyribonucleotide

	Total	1H	13C	15N
All	48.0 % (519 of 1082)	50.9 % (296 of 582)	42.2 % (168 of 398)	53.9 % (55 of 102)
Backbone	47.9 % (279 of 582)	53.6 % (120 of 224)	39.9 % (114 of 286)	62.5 % (45 of 72)
Sidechain	48.8 % (279 of 572)	49.2 % (176 of 358)	50.5 % (93 of 184)	33.3 % (10 of 30)
Aromatic	38.8 % (45 of 116)	41.4 % (24 of 58)	43.2 % (19 of 44)	14.3 % (2 of 14)
Methyl	60.0 % (12 of 20)	60.0 % (6 of 10)	60.0 % (6 of 10)

1. entity 1

GPLGSGQQRA GDWKCPNPTC ENMNFSWRNE CNQCKAPKPD G

2. entity 2

UGGUG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 0.8 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 1.0 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	FUS-ZnF	[U-99% 13C; U-99% 15N]		0.8 mM
2	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		1.0 mM
3	sodium phosphate	natural abundance		20 mM
4	beta-mercaptoethanol	natural abundance		1 mM

Sample #2

Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 0.8 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 1.0 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 100% D2O

#	Name	Isotope labeling	Type	Concentration
5	FUS-ZnF	[U-99% 13C; U-99% 15N]		0.8 mM
6	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		1.0 mM
7	sodium phosphate	natural abundance		20 mM
8	beta-mercaptoethanol	natural abundance		1 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 1.0 mM [U-99% 15N] FUS-ZnF, 0.9 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
9	FUS-ZnF	[U-99% 15N]		1.0 mM
10	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		0.9 mM
11	sodium phosphate	natural abundance		20 mM
12	beta-mercaptoethanol	natural abundance		1 mM

Sample #4

Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 (±0.5) K, pH 6.5, Details 1.0 mM [U-99% 13C; U-99% 15N] FUS-ZnF, 0.9 mM RNA (5'-R(*UP*GP*GP*UP*G)-3'), 20 mM sodium phosphate, 1 mM beta-mercaptoethanol, 100% D2O

#	Name	Isotope labeling	Type	Concentration
13	FUS-ZnF	[U-99% 13C; U-99% 15N]		1.0 mM
14	RNA (5'-R(*UP*GP*GP*UP*G)-3')	natural abundance		0.9 mM
15	sodium phosphate	natural abundance		20 mM
16	beta-mercaptoethanol	natural abundance		1 mM

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LACS Plot; CA

Referencing offset: -0.26 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.26 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.04 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 6G99, Strand ID: B Detail

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Release date

2019-03-12

Citation

The Solution Structure of FUS Bound to RNA Reveals a Bipartite Mode of RNA Recognition with Both Sequence and Shape Specificity
Loughlin, F.E., Lukavsky, P.J., Kazeeva, T., Reber, S., Hock, E.M., Colombo, M., Von Schroetter, C., Pauli, P., Clery, A., Muhlemann, O., Polymenidou, M., Ruepp, M.D., Allain, F.H.
Mol. Cell (2018), 73, 490-504, PubMed 30581145 , DOI 10.1016/j.molcel.2018.11.012 , Abstract

Related entities 1. RNA-binding protein FUS/RNA Complex, entity 1, : 1 : 72 entities Detail

Experiments performed 6 experiments Detail