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Glucose as non natural nucleobase
Authors
Gomez-Pinto, I., Vengut-Climent, E., Lucas, R., Avino, A., Eritja, R., Gonzalez-Ibanez, C., Morales, J., Penalver, P., Fonseca-Guerra, C., Bickelhaupt, M.
Assembly
Glucose in a DNA double helix
Entity
1. DNA (5'-D(*CP*TP*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3') (polymer, Thiol state: not present), 12 monomers, 3701.351 Da Detail

CTAGCGGTCA TC


2. DNA (5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*AP*G)-3') (polymer, Thiol state: not present), 12 monomers, 3761.407 Da Detail

GATGACXGCT AG


Total weight
7462.758 Da
Max. entity weight
3761.407 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 95.8 %, Completeness: 81.7 %, Completeness (bb): 77.6 % Detail

Polymer type: polydeoxyribonucleotide

Total1H
All81.7 % (183 of 224)81.7 % (183 of 224)
Suger, PO477.6 % (125 of 161)77.6 % (125 of 161)
Nucleobase92.1 % (58 of 63)92.1 % (58 of 63)
Aromatic93.5 % (43 of 46)93.5 % (43 of 46)
Methyl100.0 % (5 of 5)100.0 % (5 of 5)

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

CTAGCGGTCA TC

2. DNA (5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*AP*G)-3')

GATGACXGCT AG

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 279.6 K, pH 7


#NameIsotope labelingTypeConcentration
1DNA (5'-D(*CP*TP*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3')natural abundance1 mM
2DNA (5'-D(*GP*AP*TP*GP*AP*CP*(GL6)P*GP*CP*TP*AP*G)-3')natural abundance1 mM

Release date
2016-08-24
Citation
Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA
Vengut-Climent, E., Gomez-Pinto, I., Lucas, R., Penalver, P., Avino, A., Fonseca-Guerra, C., Bickelhaupt, M., Eritja, R., Gonzalez-Ibanez, C., Morales, J.
Angew. Chem Int Ed Engl. (2016), 55, 8643-8647, PubMed 27328804 , DOI 10.1002/anie.201603510 ,
Experiments performed 4 experiments Detail
NMR combined restraints 3 contents Detail
Keywords Carbohydrate-DNA interaction, carbohydrate nucleobase