BMRB: 34296

Polyamide - DNA complex NMR structure

Authors

Aman, K.

Assembly

DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3')

Entity

1. DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), entity 1 (polymer, Thiol state: not present), 13 monomers, 4003.575 × 2 Da Detail

XCGATGTACA TCG

2. DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), entity FGW (non-polymer), 1251.380 Da

Total weight

9258.53 Da

Max. entity weight

4003.575 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.3 %, Completeness: 78.6 %, Completeness (bb): 73.8 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	78.6 % (92 of 117)	78.6 % (92 of 117)
Suger, PO4	73.8 % (62 of 84)	73.8 % (62 of 84)
Nucleobase	90.9 % (30 of 33)	90.9 % (30 of 33)
Aromatic	95.8 % (23 of 24)	95.8 % (23 of 24)
Methyl	100.0 % (3 of 3)	100.0 % (3 of 3)

1. entity 1

XCGATGTACA TCG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.26 mM DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), 0.24 mM polyamide (PA9), 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3')	natural abundance		1.26 mM
2	polyamide (PA9)	natural abundance		0.24 mM

Sample #2

Solvent system 99% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.26 mM DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), 0.24 mM polyamide (PA9), 99% D2O

#	Name	Isotope labeling	Type	Concentration
3	DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3')	natural abundance		1.26 mM
4	polyamide (PA9)	natural abundance		0.24 mM

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Release date

2018-11-19

Citation

Structural and Kinetic Profiling of Allosteric Modulation of Duplex DNA Induced by DNA-Binding Polyamide Analogues
Aman, K., Padroni, G., Parkinson, J.A., Welte, T., Burley, G.A.
Chemistry (2018), 25, 2757-2763, PubMed 30407668 , DOI 10.1002/chem.201805338 , Abstract

Experiments performed 4 experiments Detail