BMRB: 5164

NMR Structure of a Parallel Stranded DNA Duplex at Atomic Resolution

Authors

Parvathy, V.R., Bhaumik, S.R., Chary, K.V., Govil, G., Liu, K., Howard, F.W., Miles, H.T.

Assembly

5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3' duplex

Entity

1. 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3' (polymer, Thiol state: not present), 12 monomers, 3644.340 Da Detail

CCATAATTTA CC

2. 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3' (polymer, Thiol state: not present), 12 monomers, 3644.340 Da Detail

CCTAAATTAT CC

Total weight

7288.68 Da

Max. entity weight

3644.34 Da

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 50.0 %, Completeness: 46.3 %, Completeness (bb): 50.0 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	46.3 % (111 of 240)	46.3 % (111 of 240)
Suger, PO4	50.0 % (84 of 168)	50.0 % (84 of 168)
Nucleobase	37.5 % (27 of 72)	37.5 % (27 of 72)
Aromatic	47.9 % (23 of 48)	47.9 % (23 of 48)
Methyl	50.0 % (4 of 8)	50.0 % (4 of 8)

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

CCATAATTTA CC

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

CCTAAATTAT CC

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3'			5 mM
2	5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3'			5 mM
3	sodium acetate buffer	[U-2H]		0.05 M
4	NaCl			0.1 M
5	H2O			90 %
6	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 50.0 %, Completeness: 45.0 %, Completeness (bb): 48.2 % Detail

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• NMR-STAR v3.1 (partial)
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Polymer type: polydeoxyribonucleotide

	Total	1H
All	45.0 % (216 of 480)	45.0 % (216 of 480)
Suger, PO4	48.2 % (162 of 336)	48.2 % (162 of 336)
Nucleobase	37.5 % (54 of 144)	37.5 % (54 of 144)
Aromatic	47.9 % (46 of 96)	47.9 % (46 of 96)
Methyl	50.0 % (8 of 16)	50.0 % (8 of 16)

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

CCATAATTTA CC

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

CCTAAATTAT CC

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3'			5 mM
2	5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3'			5 mM
3	sodium acetate buffer	[U-2H]		0.05 M
4	NaCl			0.1 M
5	H2O			90 %
6	D2O			10 %

Hide sample codition

Release date

2002-08-22

Citation

NMR structure of a parallel-stranded DNA duplex at atomic resolution
Parvathy, V.R., Bhaumik, S.R., Chary, K.V., Govil, G., Liu, K., Howard, F.W., Miles, H.T.
Nucleic Acids Res. (2002), 30, 1500-1511, PubMed 11917010 , DOI: , Abstract

Experiments performed 3 experiments Detail