BMRB Entry 17814
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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/BMR17814
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Title: Structure of DNA Containing an Aristolactam II-dA Lesion. PubMed: 22121223
Deposition date: 2011-07-28 Original release date: 2011-12-01
Authors: Lukin, Mark; Zaliznyak, Tanya; Johnson, Francis; de los Santos, Carlos
Citation: Lukin, Mark; Zaliznyak, Tanya; Johnson, Francis; de Los Santos, Carlos. "Structure and stability of DNA containing an aristolactam II-dA lesion: implications for the NER recognition of bulky adducts." Nucleic Acids Res. 40, 2759-2770 (2012).
Assembly members:
DNA_11m_dupl_ALII, polymer, 11 residues, 111.103 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_11m_dupl_ALII: GCATGTGTACG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA_11m_dupl_ALII | 1 |
Entities:
Entity 1, DNA_11m_dupl_ALII 11 residues - 111.103 Da.
| 1 | DG | DC | DA | DT | DG | DT | DG | DT | DA | DC | ||||
| 2 | DG |
Samples:
sample_1: DNA 11m dupl ALII 0.25 mM; sodium phosphate 25 mM; sodium chloride 50 mM; D2O 100%
sample_2: DNA 11m dupl ALII 0.25 mM; sodium phosphate 25 mM; sodium chloride 50 mM; D2O 10%; H2O 90%
sample_1_conditions: pH: 6.5; pressure: 1 atm; temperature: 273 K
sample_2_conditions: pH: 6.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_1_conditions |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_1_conditions |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_1_conditions |
| 2D DQF-COSY | sample_1 | isotropic | sample_1_conditions |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_2_conditions |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
HYPER, Tejero, Monleon, Celda, Powers and Montelione - geometry optimization
VNMR, Varian - collection
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz