BMRB: 16226

Solution Structure of cis-5R,6S-thymine glycol opposite complementary guanine in duplex DNA

Authors

Brown, K.L.

Assembly

5'-D(*DGP*DTP*DGP*DCP*DGP*(TG)P*DGP*DTP*DTP*DTP*DGP*DT)-3'

Entity

1. DNA (5'-D(*DGP*DTP*DGP*DCP*DGP*(TG)P*DGP*DTP*DTP*DTP*DGP*DT)-3') (polymer, Thiol state: not present), 12 monomers, 3812.397 Da Detail

GTGCGXGTTT GT

2. DNA (5'-D(*DAP*DCP*DAP*DAP*DAP*DCP*DGP*DCP*DGP*DCP*DAP*DC)-3') (polymer, Thiol state: not present), 12 monomers, 3688.369 Da Detail

ACAAACGCGC AC

Total weight

7500.7656 Da

Max. entity weight

3812.397 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.8 %, Completeness: 90.2 %, Completeness (bb): 93.2 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	90.2 % (202 of 224)	90.2 % (202 of 224)
Suger, PO4	93.2 % (150 of 161)	93.2 % (150 of 161)
Nucleobase	82.5 % (52 of 63)	82.5 % (52 of 63)
Aromatic	91.3 % (42 of 46)	91.3 % (42 of 46)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. DNA (5'-D(*DGP*DTP*DGP*DCP*DGP*(TG)P*DGP*DTP*DTP*DTP*DGP*DT)-3')

GTGCGXGTTT GT

2. DNA (5'-D(*DAP*DCP*DAP*DAP*DAP*DCP*DGP*DCP*DGP*DCP*DAP*DC)-3')

ACAAACGCGC AC

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1.0 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	DNA_(5'-D(*DGP*DTP*DGP*DCP*DGP*(TG)P*DGP*DTP*DTP*DTP*DGP*DT)-3')_			1 mM
2	DNA_(5'-D(*DAP*DCP*DAP*DAP*DAP*DCP*DGP*DCP*DGP*DCP*DAP*DC)-3')_			1 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium chloride	natural abundance		100 mM
5	sodium azide	natural abundance		10 uM
6	EDTA	natural abundance		50 uM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	DNA_(5'-D(*DGP*DTP*DGP*DCP*DGP*(TG)P*DGP*DTP*DTP*DTP*DGP*DT)-3')_			0.0 ~ 0.0 mM
8	DNA_(5'-D(*DAP*DCP*DAP*DAP*DAP*DCP*DGP*DCP*DGP*DCP*DAP*DC)-3')_			0.0 ~ 0.0 mM
9	sodium phosphate	natural abundance		20 mM
10	sodium chloride	natural abundance		100 mM
11	sodium azide	natural abundance		10 uM
12	EDTA	natural abundance		50 uM

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Release date

2009-11-08

Citation

The cis-(5R,6S)-thymine glycol lesion occupies the wobble position when mismatched with deoxyguanosine in DNA
Brown, K.L., Basu, A.K., Stone, M.P.
Biochemistry (2009), 48, 9722-9733, PubMed 19772348 , DOI 10.1021/bi900695e , Abstract

Experiments performed 4 experiments Detail