BMRB Entry 18524
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PDB ID:
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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Title: Solution structure of a parallel-stranded oligoisoguanine DNA pentaplex formed by d(T(iG)4T) in the presence of Cs ions PubMed: 22767484
Deposition date: 2012-06-14 Original release date: 2012-07-23
Authors: Kang, Mijeong; Heuberger, Ben; Chaput, John; Switzer, Christopher; Feigon, Juli
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).
Assembly members:
DNA_OUH, polymer, 6 residues, 1880.268 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
DNA_OUH: TXXXXT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 130 |
| 1H chemical shifts | 325 |
Additional metadata:
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 | IGU | IGU | 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