BMRB: 19889

MINOR GROOVE RECOGNITION OF DNA BY THIAZOTROPSIN ANALOGUES

Authors

Alniss, H.Y., Salvia, M.V., Sadikov, M., Golovchenko, I., Anthony, N.G., Khalaf, A.I., Mackay, S.P., Suckling, C.J., Parkinson, J.A.

Assembly

CGACTAGTCG with AIK-18/51-1

Entity

1. 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' (polymer, Thiol state: not present), 10 monomers, 3107.976 × 2 Da Detail

CGACTAGTCG

2. AIK-18/51 (non-polymer), 620.746 × 2 Da

Total weight

7457.4443 Da

Max. entity weight

3107.976 Da

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.8 %, Completeness (bb): 95.7 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	91.8 % (90 of 98)	91.8 % (90 of 98)
Suger, PO4	95.7 % (67 of 70)	95.7 % (67 of 70)
Nucleobase	82.1 % (23 of 28)	82.1 % (23 of 28)
Aromatic	95.0 % (19 of 20)	95.0 % (19 of 20)
Methyl	100.0 % (2 of 2)	100.0 % (2 of 2)

1. 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3'

CGACTAGTCG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	AIK-18/51	natural abundance		2 mM
2	5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3'	natural abundance		2 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

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Release date

2014-07-27

Citation

Recognition of the DNA minor groove by thiazotropsin analogues
Alniss, H.Y., Salvia, M.V., Sadikov, M., Golovchenko, I., Anthony, N.G., Khalaf, A.I., Mackay, S.P., Suckling, C.J., Parkinson, J.A.
Chembiochem. (2014), 15, 1978-1990, PubMed 25045155 , DOI 10.1002/cbic.201402202 , Abstract

Experiments performed 3 experiments Detail