BMRB Entry 19853

Title:
AFB1 FAPY modified AGA duplex
Deposition date:
2014-03-14
Original release date:
2019-08-09
Authors:
Li, Liang; Stone, Michael
Citation:

Citation: Li, Liang; Brown, Kyle; Ma, Ruidan; Stone, Michael. "DNA Sequence Modulates Geometrical Isomerism of the trans-8,9-Dihydro-8-(2,6-diamino-4-oxo-3,4-dihydropyrimid-5-yl-formamido)-9-hydroxy Aflatoxin B1 Adduct"  Chem. Res. Toxicol. 28, 225-237 (2015).
PubMed: 25587868

Assembly members:

Assembly members:
DNA_(5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3'), polymer, 10 residues, 3374.335 Da.
DNA_(5'-D(*TP*GP*AP*AP*TP*CP*TP*TP*AP*G)-3'), polymer, 10 residues, 3059.053 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_(5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3'): CTAAXATTCA
DNA_(5'-D(*TP*GP*AP*AP*TP*CP*TP*TP*AP*G)-3'): TGAATCTTAG

Data sets:
Data typeCount
1H chemical shifts161

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA (5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3')1
2DNA (5'-D(*TP*GP*AP*AP*TP*CP*TP*TP*AP*G)-3')2

Entities:

Entity 1, DNA (5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3') 10 residues - 3374.335 Da.

1   DCDTDADAFAGDADTDTDCDA

Entity 2, DNA (5'-D(*TP*GP*AP*AP*TP*CP*TP*TP*AP*G)-3') 10 residues - 3059.053 Da.

1   DTDGDADADTDCDTDTDADG

Samples:

AGA: DNA (5'-D(*CP*TP*AP*AP*(FAG)P*AP*TP*TP*CP*A)-3') 0.5 ± 0.2 mM; DNA (5'-D(*TP*GP*AP*AP*TP*CP*TP*TP*AP*G)-3') 0.5 ± 0.2 mM; Sodium Chloride 100 mM; Sodium Phosphate 10 mM; EDTA 50 uM

sample_condition_AGA: ionic strength: 0.1 M; pH: 7; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYAGAisotropicsample_condition_AGA
2D 1H-1H NOESYAGAisotropicsample_condition_AGA

Software:

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz