BMRB Entry 18524

Name: Solution structure of a parallel-stranded oligoisoguanine DNA pentaplex formed by d(T(iG)4T) in the presence of Cs ions
Published: 2012-07-23

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PDB ID: 2luj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18524
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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:

Solution structure of a parallel-stranded oligoisoguanine DNA pentaplex formed by d(T(iG)4T) in the presence of Cs ions

Deposition date:

2012-06-14

Original release date:

2012-07-23

Authors:

Kang, Mijeong; Heuberger, Ben; Chaput, John; Switzer, Christopher; Feigon, Juli

Citation:

Citation: Kang, Mijeong; Heuberger, Ben; Chaput, John; Switzer, Christopher; Feigon, Juli. "Solution structure of a parallel-stranded oligoisoguanine DNA pentaplex formed by d(T(iG)4 T) in the presence of Cs+ ions." Angew. Chem. Int. Ed. Engl. 51, 7952-7955 (2012).
PubMed: 22767484

Assembly members:

Assembly members:
DNA_OUH, polymer, 6 residues, 1880.268 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):
DNA_OUH: TXXXXT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	130
1H chemical shifts	325

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA_1	1
2	DNA_2	1
3	DNA_3	1
4	DNA_4	1
5	DNA_5	1

Entities:

Entity 1, DNA_1 6 residues - 1880.268 Da.

1

DT

IGU

DT

Samples:

sample_1: DNA 0.7 mM; H2O 90%; D2O 10%

sample_2: DNA 0.7 mM; D2O 100%

sample_conditions_1: ionic strength: 50 mM; pH: 6.3; pressure: 1 atm; temperature: 300 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

xwinnmr, Bruker Biospin - processing

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Bruker DRX 500 MHz
Bruker DRX 600 MHz
Bruker Avance 800 MHz