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BMRB: 17791


17791
2LG3
Structure of the duplex containing HNE derived (6S,8R,11S) gamma-HO-PdG when placed opposite dT
Authors
Huang, H., Wang, H., Kozekova, A., LLoyd, R.S., Rizzo, C.J., Stone, M.P.
Assembly
(6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct
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*TP*GP*CP*TP*AP*GP*C)-3') (polymer, Thiol state: not present), 12 monomers, 3741.375 Da Detail

GGACTTGCTA GC


3. HNE (non-polymer), 156.222 Da
Total weight
7623.9614 Da
Max. entity weight
3741.375 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 51.5 %, Completeness (bb): 49.4 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All51.5 % (121 of 235)51.5 % (121 of 235)
Suger, PO449.4 % (83 of 168)49.4 % (83 of 168)
Nucleobase56.7 % (38 of 67)56.7 % (38 of 67)
Aromatic68.8 % (33 of 48)68.8 % (33 of 48)
Methyl100.0 % (5 of 5)100.0 % (5 of 5)

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*TP*GP*CP*TP*AP*GP*C)-3')

GGACTTGCTA GC

Show sample condition
Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0


#NameIsotope labelingTypeConcentration
1DNA_(5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3')natural abundance1 mM
2DNA_(5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3')natural abundance1 mM
3HNEnatural abundance1 mM
4D2Onatural abundance100 %

Release date
2012-08-29
Citation
Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex
Huang, H., Wang, H., Kozekova, A., LLoyd, R.S., Rizzo, C.J., Stone, M.P.
Not known
Experiments performed 1 experiments Detail
NMR combined restraints 3 contents Detail
Keywords gamma-HO-PdG, HNE, HNE-dG, trans-4-hydroxynonenal