BMRB Entry 26032

Name: Structural insights of r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS) at 45 degree C
Published: 2017-05-10

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PDB ID: 2ncq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26032
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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:

Structural insights of r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS) at 45 degree C

Deposition date:

2016-04-12

Original release date:

2017-05-10

Authors:

Kumar, Amit; Mishra, Subodh

Citation:

Citation: Mishra, Subodh; Kumar, Amit. "Structural insights reveal the dynamics of the repeating r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS)" .

Assembly members:

Assembly members:
RNA_(5'-R(P*CP*CP*GP*CP*GP*GP*CP*GP*G)-3'), polymer, 9 residues, 2901.816 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RNA_(5'-R(P*CP*CP*GP*CP*GP*GP*CP*GP*G)-3'): CCGCGGCGG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	38

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RNA (5'-R(PCPCPGPCPGPGPCPGP*G)-3')_1	1
2	RNA (5'-R(PCPCPGPCPGPGPCPGP*G)-3')_2	1

Entities:

Entity 1, RNA (5'-R(P*CP*CP*GP*CP*GP*GP*CP*GP*G)-3')_1 9 residues - 2901.816 Da.

1

C

G

C

G

C

G

Samples:

CGG_45C: RNA (5'-R(P*CP*CP*GP*CP*GP*GP*CP*GP*G)-3') 1.5 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 318 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	CGG_45C	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - chemical shift assignment

SPARKY, Goddard - chemical shift assignment, peak picking

DISCOVER, Accelrys Software Inc. - geometry optimization

NMR spectrometers:

Bruker Avance 400 MHz