BMRB Entry 36654

Name: Solution NMR structure of a RNA duplex formed by C9orf72 GGGGCC repeats
Published: 2025-12-12

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PDB ID: 8yzl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36654
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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:

Solution NMR structure of a RNA duplex formed by C9orf72 GGGGCC repeats

Deposition date:

2024-04-07

Original release date:

2025-12-12

Authors:

Yang, Y.; Zhang, Y.; Guo, P.; Han, D.

Citation:

Citation: Liu, Y.; Yang, Y.; Zhang, Y.; Yi, J.; Wan, L.; Wang, Y.; Gao, Q.; Xu, D.; Guo, P.; Han, D.. "Structural basis for the GGGGCC repeat RNA binding to SRSF2 protein." Chin. J. Chem. ., .-. (2025).

Assembly members:

Assembly members:
RNA (5'-R(*CP*CP*GP*GP*GP*GP*CP*CP*GP*G)-3'), polymer, 10 residues, 3247.004 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RNA (5'-R(*CP*CP*GP*GP*GP*GP*CP*CP*GP*G)-3'): CCGGGGCCGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	39

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1_1	1
2	entity_1_2	1

Entities:

Entity 1, entity_1_1 10 residues - 3247.004 Da.

1

C

G

C

G

Samples:

sample_1: RNA (5'-R(*CP*CP*GP*GP*GP*GP*CP*CP*GP*G)-3') 0.5 ± 0.05 mM; sodium chloride 100 ± 0.05 mM; sodium phosphate 1 ± 0.05 mM; DSS 0.02 ± 0.005 mM; D2O, [U-2H], 99.96%

sample_2: RNA (5'-R(*CP*CP*GP*GP*GP*GP*CP*CP*GP*G)-3') 0.5 ± 0.05 mM; sodium chloride 100 ± 0.05 mM; sodium phosphate 1 ± 0.05 mM; DSS 0.02 ± 0.005 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 101 mM; pH: 7.0; pressure: 1 atm; temperature: 283 K

sample_conditions_2: ionic strength: 101 mM; pH: 7.0; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2

Software:

TopSpin, Biospin - chemical shift assignment

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation

GROMACS v2021.7, Alekseenko, Apol, Apostolov, Bauer, Berendsen, Bjelkmar, Blau, ... and Hess - structure calculation

NMR spectrometers:

Bruker AVANCE 600 MHz