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BMRB: 17562


17562
2LBI
N2-dG:N2-dG interstrand cross-link induced by trans-4-hydroxynonenal
Authors
Huang, H., Kozekov, I.D., Wang, H., Kozekova, A., Rizzo, C.J., Stone, M.P.
Assembly
N2-dG:N2-dG interstrand cross-link induced by trans-4-hydroxynonenal
Entity
1. DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') (polymer, Thiol state: not present), 12 monomers, 3726.364 Da Detail

GCTAGCGAGT CC


2. DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3') (polymer, Thiol state: not present), 12 monomers, 3726.364 Da Detail

GGACTCGCTA GC


3. HNE (non-polymer, Thiol state: not present), 156.222 Da
Total weight
7608.95 Da
Max. entity weight
3726.364 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 58.9 %, Completeness (bb): 60.1 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All58.9 % (139 of 236)58.9 % (139 of 236)
Suger, PO460.1 % (101 of 168)60.1 % (101 of 168)
Nucleobase55.9 % (38 of 68)55.9 % (38 of 68)
Aromatic70.8 % (34 of 48)70.8 % (34 of 48)
Methyl100.0 % (4 of 4)100.0 % (4 of 4)

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

GCTAGCGAGT CC

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

GGACTCGCTA GC

Show sample condition
Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.3


#NameIsotope labelingTypeConcentration
1DNA_1natural abundance1 mM
2DNA_2natural abundance1 mM
3(2E,4R)-4-HYDROXYNON-2-ENALnatural abundance1 mM
4D2Onatural abundance100 %

Release date
2012-04-01
Citation
Formation of a N2-dG:N2-dG carbinolamine DNA cross-link by the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N2-dG adduct
Huang, H., Wang, H., Kozekova, A., Rizzo, C.J., Stone, M.P.
J. Am. Chem. Soc. (2011), 133, 16101-16110, PubMed 21916419 , DOI 10.1021/ja205145q ,
Experiments performed 1 experiments Detail
NMR combined restraints 3 contents Detail
Keywords HNE, interstrand cross-link, trans-4-hydroxynonenal