BMRB Entry 52045

Name: 1H, 13C, 15N and 31P chemical shift assignment of poly(UG) fold RNA
Published: 2023-11-11

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PDB ID: 8tns
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52045
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C, 15N and 31P chemical shift assignment of poly(UG) fold RNA

Deposition date:

2023-07-18

Original release date:

2023-11-11

Authors:

Escobar, Cristian; Petersen, Riley; Tonelli, Marco; Butcher, Samuel

Citation:

Citation: Escobar, Cristian; Petersen, Riley; Tonelli, Marco; Fan, Lixin; Henzler-Wildman, Katherine; Butcher, Samuel. "Solution Structure of Poly(UG) RNA" J. Mol. Biol. 435, 168340-168340 (2023).
PubMed: 37924862

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 7750 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: enzymatic semisynthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GUGUGUGUGUGUGUGUGUGU GUGU

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	194
15N chemical shifts	72
1H chemical shifts	222
31P chemical shifts	23

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	(GU)12	1

Entities:

Entity 1, (GU)12 24 residues - 7750 Da.

1

G

U

G

U

G

U

G

U

G

U

2

G

U

G

U

G

U

G

U

G

U

3

G

U

G

U

Samples:

sample_1: (GU)12 400 uM; D2O, [U-2H], 10%; H2O 90%; DSS 20 uM; potassium chloride 150 mM; HEPES 50 mM

sample_2: (GU)12 400 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 150 mM; HEPES 50 mM

sample_3: (GU)12, [U-13C; U-15N]-Gua, 350 uM; D2O, [U-2H], 10%; DSS 20 uM; H2O 90%; potassium chloride 100 mM; potassium phosphate 20 mM

sample_4: (GU)12, [U-13C; U-15N]-Gua, 350 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_5: (GU)12, [U-13C; U-15N]-Ura, 200 uM; D2O, [U-2H], 10%; DSS 20 uM; H2O 90%; potassium chloride 100 mM; potassium phosphate 20 mM

sample_6: (GU)12, [U-13C; U-15N]-Ura, 200 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_7: (GU)11.5 500 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_8: (GU)12-dG1 350 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_9: (GU)12-dU2 770 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_10: (GU)12-dG3 380 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_11: (GU)12-dU4 270 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_12: (GU)12-dG5 190 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_13: (GU)12-dU6 210 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_conditions_1: pH: 7.0; temperature: 293 K

sample_conditions_2: pH: 7.0; temperature: 276 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
1D 31P	sample_5	isotropic	sample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced	sample_5	isotropic	sample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupled	sample_5	isotropic	sample_conditions_1
2D H,H NOESY-1H,15N-HSQC	sample_5	isotropic	sample_conditions_1
2D H,N HCN BEST	sample_5	isotropic	sample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupled	sample_5	isotropic	sample_conditions_1
2D 1H-15N HSQC long-range	sample_5	isotropic	sample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupled	sample_5	isotropic	sample_conditions_1
2D 1H-15N HSQC BEST	sample_5	isotropic	sample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced	sample_6	isotropic	sample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupled	sample_6	isotropic	sample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupled	sample_6	isotropic	sample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced	sample_6	isotropic	sample_conditions_1
3D HC(C)H-TOCSY	sample_6	isotropic	sample_conditions_1
3D HC(C)H-COSY	sample_6	isotropic	sample_conditions_1
2D 1H-13C HSQC constant-time	sample_6	isotropic	sample_conditions_1
3D HCP sensitivity-enhanced	sample_6	isotropic	sample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced	sample_3	isotropic	sample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced	sample_3	isotropic	sample_conditions_1
2D H,H NOESY-1H,15N-HSQC	sample_3	isotropic	sample_conditions_1
2D H,N HCN BEST	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupled	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC long-range	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC BEST	sample_3	isotropic	sample_conditions_1
3D H,N,N NOESY-1H,15N-HSQC	sample_3	isotropic	sample_conditions_2
2D 1H-15N HSQC BEST	sample_3	isotropic	sample_conditions_2
2D 1H-13C HSQC sensitivity-enhanced	sample_3	isotropic	sample_conditions_2
2D 1H-13C HSQC constant-time	sample_3	isotropic	sample_conditions_2
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced	sample_4	isotropic	sample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced	sample_4	isotropic	sample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced	sample_4	isotropic	sample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced	sample_4	isotropic	sample_conditions_1
3D HC(C)H-TOCSY	sample_4	isotropic	sample_conditions_1
3D HC(C)H-COSY	sample_4	isotropic	sample_conditions_1
2D 1H-13C HSQC constant-time	sample_4	isotropic	sample_conditions_1
3D HCP sensitivity-enhanced	sample_4	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_4	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_4	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_4	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_7	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_7	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_7	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_7	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_8	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_8	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_8	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_8	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_9	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_9	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_9	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_9	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_10	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_10	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_10	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_10	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_11	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_11	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_12	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_12	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_13	isotropic	sample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupled	sample_4	isotropic	sample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupled	sample_6	isotropic	sample_conditions_1
2D 1H-15N HSQC long-range	sample_3	isotropic	sample_conditions_1
2D 13C-15N CON	sample_5	isotropic	sample_conditions_1
2D 13C-15N CON	sample_5	isotropic	sample_conditions_1
2D 1H-13C HN(CA)CO	sample_5	isotropic	sample_conditions_1