BMRB Entry 25106

Name: Structural dynamics of double-helical RNA having CAG motif
Published: 2015-01-26

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PDB ID: 2ms5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25106
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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 dynamics of double-helical RNA having CAG motif

Deposition date:

2014-07-23

Original release date:

2015-01-26

Authors:

KUMAR, AMIT; TAWANI, ARPITA

Citation:

Citation: KUMAR, AMIT; TAWANI, ARPITA. "Structural Insight reveals dynamics in repeating r(CAG) transcript found in Huntington s disease (HD) and Spinocerebellar ataxias (SCAs)" .

Assembly members:

Assembly members:
RNA_(5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3'), polymer, 9 residues, 2885.816 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: chemical synthesis

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	33

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

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

Entities:

Entity 1, RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3')_1 9 residues - 2885.816 Da.

1

C

G

C

A

G

C

G

Samples:

sample_1: RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3') 2.35 mM; H2O 90%; D2O 10%; Phosphate buffer 10 mM; NaCl 100 mM; EDTA 0.05 mM

sample_conditions_1: temperature: 308 K; pH: 7.2; pressure: 1 atm; ionic strength: 0.018 M

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

DISCOVER, Accelrys Software Inc. - structure solution

NMR spectrometers:

Bruker Avance 400 MHz
Bruker Avance 700 MHz