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BMRB: 17787


17787
2LFY
Structure of the duplex when (5'S)-8,5'-cyclo-2'-deoxyguanosine is placed opposite dA
Authors
Huang, H., Das, R.S., Basu, A., Stone, M.P.
Assembly
(5'S)-8,5'-cyclo-2'-deoxyguanosine
Entity
1. DNA (5'-D(P*TP*GP*CP*TP*GP*TP*TP*TP*G)-3') (polymer, Thiol state: not present), 12 monomers, 3778.382 Da Detail

GTGCGTGTTT GT


2. DNA (5'-D(P*CP*AP*AP*AP*CP*AP*AP*GP*CP*A)-3') (polymer, Thiol state: not reported), 12 monomers, 3696.395 Da Detail

ACAAACAAGC AC


Total weight
7474.7773 Da
Max. entity weight
3778.382 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 65.5 %, Completeness (bb): 70.2 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All65.5 % (152 of 232)65.5 % (152 of 232)
Suger, PO470.2 % (118 of 168)70.2 % (118 of 168)
Nucleobase53.1 % (34 of 64)53.1 % (34 of 64)
Aromatic58.3 % (28 of 48)58.3 % (28 of 48)
Methyl100.0 % (6 of 6)100.0 % (6 of 6)

1. DNA (5'-D(P*TP*GP*CP*TP*GP*TP*TP*TP*G)-3')

GTGCGTGTTT GT

2. DNA (5'-D(P*CP*AP*AP*AP*CP*AP*AP*GP*CP*A)-3')

ACAAACAAGC AC

Show sample condition
Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0


#NameIsotope labelingTypeConcentration
1DNA (5'-D(*GP*TP*GP*CP*TP*GP*TP*TP*TP*GP*T)-3')natural abundance1.0 mM
2DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3')natural abundance1.0 mM
3D2Onatural abundance100 %

Release date
2012-06-24
Citation
Structures of (5'S)-8,5'-Cyclo-2'-deoxyguanosine Mismatched with dA or dT
Huang, H., Das, R.S., Basu, A., Stone, M.P.
Chem. Res. Toxicol. (2012), 25, 478-490, PubMed 22309170 , DOI 10.1021/tx2005053 ,
Experiments performed 2 experiments Detail
NMR combined restraints 3 contents Detail
Keywords (5'S)-8, 5'-cyclo-2'-deoxyguanosine, cyclo-dG, cyclopurine