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 5739

Title: Mispairing of the Deoxycytosine with Deoxyadenosine 5' to the 8, 9-Dihydro-8-(N7-guanyl)-9-Hydroxy-Aflatoxin B1 Adduct : Structural study based on NMR   PubMed: 12795597

Authors: Stone, M.; Giri, I.

Citation: Giri, I.; Stone, M.. "Wobble dC.dA Pairing 5' to the Cationic Guanine N7 8,9-Dihydro-8-(N7-guanyl)-9-Hydroxyaflatoxin B1 Adduct: Implications for Nontargeted AFB1 Mutagenesis"  Biochemistry 42, 7023-7034 (2003).

Assembly members:
5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3', polymer, 10 residues, Formula weight is not available
5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3', polymer, 10 residues, Formula weight is not available
AFN, non-polymer, 330.289 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: .

Entity Sequences (FASTA):
5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3': ACATCGATCT
5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3': AGATCAATGT

Data typeCount
1H chemical shifts189

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DEOXYRIBONUCLEIC ACID chain A1
2DEOXYRIBONUCLEIC ACID chain B2
3AFLATOXIN B13

Entities:

Entity 1, DEOXYRIBONUCLEIC ACID chain A 10 residues - Formula weight is not available

1   DADCDADTDCDGDADTDCDT

Entity 2, DEOXYRIBONUCLEIC ACID chain B 10 residues - Formula weight is not available

1   DADGDADTDCDADADTDGDT

Entity 3, AFLATOXIN B1 - C17 H14 O7 - 330.289 Da.

1   AFN

Samples:

sample_1: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'; 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'; sodium phosphate 0.01 M; NaCl 0.1 M; Na2EDTA 0.05 mM; D2O 99.96%

sample_2: 5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3'; 5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-3'; sodium phosphate 0.01 M; NaCl 0.1 M; Na2EDTA 0.05 mM; D2O 10%; H2O 90%

sample_cond_1: ionic strength: 0.11 M; pH: 7.2; pressure: 1 atm; temperature: 278 K

sample_cond_2: ionic strength: 0.11 M; pH: 6.7; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
DQF-COSYnot availablenot availablenot available
P-COSYnot availablenot availablenot available

Software:

X-PLOR v6.5 - refinement

InsightII v2000 - structure solution

FELIX v97, 2000 - data analysis

MARDIGRAS v5.2, 6.2 - iterative matrix relaxation

AMBER v6.0 - refinement

xwinnmr v3 - collection

NMR spectrometers:

  • Bruker AVANCE 800 MHz

Related Database Links: