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Oligonucleotide duplex contaning (5'S)-8,5'-cyclo-2'-deoxyguansine
Authors
Huang, H., Das, R.S., Basu, A., Stone, M.P.
Assembly
(5'S)-8,5'-Cyclo-2'-deoxyguanosine in DNA
Entity
1. DNA (5'-D(*GP*TP*GP*CP*TP*GP*TP*TP*TP*GP*T)-3') (polymer, Thiol state: not present), 13 monomers, 4089.573 Da Detail

GTGCXTGTTT GTA


2. DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3') (polymer, Thiol state: not present), 12 monomers, 3672.370 Da Detail

ACAAACACGC AC


Total weight
7761.9434 Da
Max. entity weight
4089.573 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 92.0 %, Completeness: 60.7 %, Completeness (bb): 63.1 % Detail

Polymer type: polydeoxyribonucleotide

Total1H
All60.7 % (142 of 234)60.7 % (142 of 234)
Suger, PO463.1 % (106 of 168)63.1 % (106 of 168)
Nucleobase54.5 % (36 of 66)54.5 % (36 of 66)
Aromatic62.5 % (30 of 48)62.5 % (30 of 48)
Methyl100.0 % (6 of 6)100.0 % (6 of 6)

1. DNA (5'-D(*GP*TP*GP*CP*TP*GP*TP*TP*TP*GP*T)-3')

GTGCXTGTTT GTA

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

ACAAACACGC AC

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 %
4NaClnatural abundance100 mM
5phosphate buffernatural abundance10 mM

Release date
2011-12-11
Citation
Structure of (5'S)-8,5'-cyclo-2'-deoxyguanosine in DNA
Huang, H., Das, R.S., Basu, A.K., Stone, M.P.
J. Am. Chem. Soc. (2011), 133, 20357-20368, PubMed 22103478 , DOI 10.1021/ja207407n ,
Experiments performed 2 experiments Detail
NMR combined restraints 3 contents Detail
Keywords (5'S)-8, 5'-cyclo-2'-deoxyguanosine, cyclo-dG, cyclopurine