BMRB: 4646

Structural NMR characterization of an 11-mer DNA Duplex Containing a 2'-deoxyaristeromycin 8-oxo-Guanine pair, nonhydrolyzable substrate analog for the DNA repair enzyme MutY

Authors

Smirnov, S., Johnson, F., De los Santos, C.

Assembly

DNA

Entity

1. 5'-D(*CP*AP*GP*TP*GP*(2AR)P*GP*TP*CP*AP*C)-3' (polymer, Thiol state: not present), 11 monomers, 3419.210 Da Detail

CAGTGXGTCA C

2. 5'-D(*GP*TP*GP*AP*CP*(8OG)P*CP*AP*CP*TP*G)-3' (polymer, Thiol state: not present), 11 monomers, 3453.182 Da Detail

GTGACXCACT G

Total weight

6872.3916 Da

Max. entity weight

3453.182 Da

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 45.5 %, Completeness: 31.9 %, Completeness (bb): 32.5 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H	31P
All	31.9 % (69 of 216)	31.1 % (61 of 196)	40.0 % (8 of 20)
Suger, PO4	32.5 % (52 of 160)	31.4 % (44 of 140)	40.0 % (8 of 20)
Nucleobase	30.4 % (17 of 56)	30.4 % (17 of 56)
Aromatic	37.5 % (15 of 40)	37.5 % (15 of 40)
Methyl	50.0 % (2 of 4)	50.0 % (2 of 4)

1. 5'-D(*CP*AP*GP*TP*GP*(2AR)P*GP*TP*CP*AP*C)-3'

CAGTGXGTCA C

2. 5'-D(*GP*TP*GP*AP*CP*(8OG)P*CP*AP*CP*TP*G)-3'

GTGACXCACT G

Show sample condition

Sample

Pressure 1 atm, Temperature 284 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	DNA			280 A260
2	phosphate buffer			50 mM
3	H2O			90 %
4	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 45.5 %, Completeness: 32.6 %, Completeness (bb): 33.4 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H	31P
All	32.6 % (141 of 432)	32.1 % (126 of 392)	37.5 % (15 of 40)
Suger, PO4	33.4 % (107 of 320)	32.9 % (92 of 280)	37.5 % (15 of 40)
Nucleobase	30.4 % (34 of 112)	30.4 % (34 of 112)
Aromatic	37.5 % (30 of 80)	37.5 % (30 of 80)
Methyl	50.0 % (4 of 8)	50.0 % (4 of 8)

1. 5'-D(*CP*AP*GP*TP*GP*(2AR)P*GP*TP*CP*AP*C)-3'

CAGTGXGTCA C

2. 5'-D(*GP*TP*GP*AP*CP*(8OG)P*CP*AP*CP*TP*G)-3'

GTGACXCACT G

Show sample condition

Sample

Pressure 1 atm, Temperature 284 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	DNA			280 A260
2	phosphate buffer			50 mM
3	H2O			90 %
4	D2O			10 %

Hide sample codition

Release date

2005-11-13

Citation

Structure of an 11-mer DNA duplex containing the carbocyclic nucleotide analog: 2'-deoxyaristeromycin
Smirnov, S., Johnson, F., Marumoto, R., De los Santos, C.
J. Biomol. Struct. Dyn. (2000), 17, 981-991, PubMed 10949165 , DOI 10.1080/07391102.2000.10506586 , Abstract

Experiments performed 3 experiments Detail