BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 17814

Title: Structure of DNA Containing an Aristolactam II-dA Lesion.   PubMed: 22121223

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

Data sets:
Data typeCount
1H chemical shifts82

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA_11m_dupl_ALII1

Entities:

Entity 1, DNA_11m_dupl_ALII 11 residues - 111.103 Da.

1   DGDCDADTDGDTDGDTDADC
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:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_1_conditions
2D 1H-1H TOCSYsample_1isotropicsample_1_conditions
2D 1H-1H COSYsample_1isotropicsample_1_conditions
2D DQF-COSYsample_1isotropicsample_1_conditions
2D 1H-1H NOESYsample_2isotropicsample_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

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