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BMRB: 4409


4409
1QKG
DNA DECAMER DUPLEX CONTAINING T-T DEWAR PHOTOPRODUCT
Authors
Lee, J.-H., Bae, S.-H., Choi, B.-S.
Assembly
DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)- 3')
Entity
1. DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)- 3') (polymer, Thiol state: not present), 10 monomers, 3071.985 Da Detail

CGCAXXACGC


2. DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3') (polymer, Thiol state: not present), 10 monomers, 3163.999 Da Detail

GCGTGATGCG


Total weight
6235.9844 Da
Max. entity weight
3163.999 Da
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 40.0 %, Completeness: 36.4 %, Completeness (bb): 31.7 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All36.4 % (64 of 176)36.4 % (64 of 176)
Suger, PO431.7 % (40 of 126)31.7 % (40 of 126)
Nucleobase48.0 % (24 of 50)48.0 % (24 of 50)
Aromatic44.4 % (16 of 36)44.4 % (16 of 36)
Methyl 0.0 % (0 of 2) 0.0 % (0 of 2)

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

CGCAXXACGC

2. DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3')

GCGTGATGCG

Show sample condition
Sample

Temperature 274.0 (±1.0) K, pH 6.6 (±0.1)


#NameIsotope labelingTypeConcentration
1DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)- 3')1.0 mM
2DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3')1.0 mM

Chem. Shift Complete2
Sequence coverage: 50.0 %, Completeness: 39.8 %, Completeness (bb): 35.7 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All39.8 % (140 of 352)39.8 % (140 of 352)
Suger, PO435.7 % (90 of 252)35.7 % (90 of 252)
Nucleobase50.0 % (50 of 100)50.0 % (50 of 100)
Aromatic50.0 % (36 of 72)50.0 % (36 of 72)
Methyl50.0 % (2 of 4)50.0 % (2 of 4)

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

CGCAXXACGC

2. DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3')

GCGTGATGCG

Show sample condition
Sample

Temperature 274.0 (±1.0) K, pH 6.6 (±0.1)


#NameIsotope labelingTypeConcentration
1DNA (5'-D(*CP*GP*CP*AP*(HYD)TP*+TP*AP*CP*GP*C)- 3')1.0 mM
2DNA (5'-D(*G11P*C12P*G13*T14P*G15P*A16P*T17P*G18P*C19P*G20)-3')1.0 mM

Release date
2000-12-14
Citation
The Dewar photoproduct of thymidylyl(3'-->5')- thymidine (Dewar product) exhibits mutagenic behavior in accordance with the "A rule"
Lee, J.H., Bae, S.H., Choi, B.S.
Proc. Natl. Acad. Sci. U. S. A. (2000), 97, 4591-4596, PubMed 10758155 , DOI 10.1073/pnas.080057097 ,
Experiments performed 1 experiments Detail
nullKeywords DEWAR PRODUCT(6-4) ADDUCT, DNA PHOTOPRODUCT, MUTAGENESIS, NMR, TRANSLESION REPLICATION