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BMRB: 17789


17789
2LG0
structure of the duplex containing (5'S)-8,5'-cyclo-2'-deoxyadenosine
Authors
Huang, H., Das, R.S., Basu, A., Stone, M.P.
Assembly
(5'S)-8,5'-cyclo-2'-deoxyadenosine
Entity
1. DNA (5'-D(P*TP*GP*CP*TP*GP*TP*TP*TP*G)-3') (polymer, Thiol state: not present), 12 monomers, 3762.383 Da Detail

GTGCATGTTT GT


2. DNA (5'-D(P*CP*AP*AP*AP*CP*AP*TP*GP*CP*A)-3') (polymer, Thiol state: not present), 12 monomers, 3687.381 Da Detail

ACAAACATGC AC


Total weight
7449.764 Da
Max. entity weight
3762.383 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 67.4 %, Completeness (bb): 72.6 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All67.4 % (157 of 233)67.4 % (157 of 233)
Suger, PO472.6 % (122 of 168)72.6 % (122 of 168)
Nucleobase53.8 % (35 of 65)53.8 % (35 of 65)
Aromatic58.3 % (28 of 48)58.3 % (28 of 48)
Methyl100.0 % (7 of 7)100.0 % (7 of 7)

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

GTGCATGTTT GT

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

ACAAACATGC AC

Show sample condition
Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 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 %
4phosphate buffernatural abundance10 mM
5NaClnatural abundance100 mM

Release date
2012-06-24
Citation
Structure of (5'S)-8,5'-cyclo-2'-deoxyguanosine in DNA
Huang, H., Das, R.S., Basu, A., 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'-deoxyadenosine, cyclo-dA, cyclopurine