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BMRB: 19375


19375
2MAV
NMR Structure of N2-IQ-dG at the G3 position in the NarI recognition sequence
Authors
Stavros, K.M., Hawkins, E.K., Rizzo, C.J., Stone, M.P.
Assembly
N2-dG IQ at G3 in NarI sequence
Entity
1. DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3') (polymer, Thiol state: not present), 12 monomers, 3858.523 Da Detail

CTCGGCXCCA TC


2. DNA (5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') (polymer, Thiol state: not present), 12 monomers, 3791.401 Da Detail

GATGGCGCCG AG


Total weight
7649.924 Da
Max. entity weight
3858.523 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts, homonucl_NOEs
Chem. Shift Complete
Sequence coverage: 95.8 %, Completeness: 84.6 %, Completeness (bb): 97.5 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All84.6 % (193 of 228)84.6 % (193 of 228)
Suger, PO497.5 % (157 of 161)97.5 % (157 of 161)
Nucleobase53.7 % (36 of 67)53.7 % (36 of 67)
Aromatic71.7 % (33 of 46)71.7 % (33 of 46)
Methyl100.0 % (3 of 3)100.0 % (3 of 3)

1. DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3')

CTCGGCXCCA TC

2. DNA (5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3')

GATGGCGCCG AG

Show sample condition
Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 288 K, pH 7


#NameIsotope labelingTypeConcentration
1DNA (5'-D(*CP*TP*CP*GP*GP*CP*IQGP*CP*CP*AP*TP*C)-3')natural abundance560 nM
2DNA (5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3')natural abundance560 nM
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7


#NameIsotope labelingTypeConcentration
3DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3')natural abundance560 mM
4DNA (5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3')natural abundance560 mM

Release date
2014-05-11
Citation
Base-displaced intercalation of the 2-amino-3-methylimidazo[4,5-f]quinolone N2-dG adduct in the NarI DNA recognition sequence
Stavros, K.M., Hawkins, E.K., Rizzo, C.J., Stone, M.P.
Nucleic Acids Res. (2014), 42, 3450-3463, PubMed 24366876 , DOI 10.1093/nar/gkt1109 ,
Experiments performed 1 experiments Detail
NMR combined restraints 3 contents Detail
Keywords DNA adducts, heterocyclic amine, mutagen, N2-IQ, NarI, NMR spectroscopy, oligodeoxyribonucleotides, quinolines