BMRB: 5370

Structure of a Beta-Alanine-Linked Polyamide Bound to a Full Helical Turn of Purine Tract DNA in the 1:1 Motif

Authors

Urbach, A.R., Love, J.J., Ross, S.A., Dervan, P.B.

Assembly

beta alanine linked polyamide bound to purine tract DNA

Entity

1. helical turn of purine tract DNA (polymer, Thiol state: not present), 13 monomers, 4081.624 Da Detail

CCAAAGAGAA GCG

2. helical turn of purine tract DNA (polymer, Thiol state: not present), 13 monomers, 3987.516 Da Detail

CGCTTCTCTT TGG

3. P11 (non-polymer), 914.992 Da

Total weight

8984.132 Da

Max. entity weight

4081.624 Da

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 50.0 %, Completeness: 37.8 %, Completeness (bb): 35.7 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	37.8 % (96 of 254)	37.8 % (96 of 254)
Suger, PO4	35.7 % (65 of 182)	35.7 % (65 of 182)
Nucleobase	43.1 % (31 of 72)	43.1 % (31 of 72)
Aromatic	48.1 % (25 of 52)	48.1 % (25 of 52)
Methyl	0.0 % (0 of 6)	0.0 % (0 of 6)

1. helical turn of purine tract DNA

CCAAAGAGAA GCG

2. helical turn of purine tract DNA

CGCTTCTCTT TGG

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	helical turn of purine tract DNA			3.67 mM
2	helical turn of purine tract DNA			3.67 mM
3	IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE			3.67 mM
4	sodium phosphate			10 mM
5	H2O			90 %
6	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 50.0 %, Completeness: 39.4 %, Completeness (bb): 35.7 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	39.4 % (200 of 508)	39.4 % (200 of 508)
Suger, PO4	35.7 % (130 of 364)	35.7 % (130 of 364)
Nucleobase	48.6 % (70 of 144)	48.6 % (70 of 144)
Aromatic	48.1 % (50 of 104)	48.1 % (50 of 104)
Methyl	50.0 % (6 of 12)	50.0 % (6 of 12)

1. helical turn of purine tract DNA

CCAAAGAGAA GCG

2. helical turn of purine tract DNA

CGCTTCTCTT TGG

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	helical turn of purine tract DNA			3.67 mM
2	helical turn of purine tract DNA			3.67 mM
3	IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE			3.67 mM
4	sodium phosphate			10 mM
5	H2O			90 %
6	D2O			10 %

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Chem. Shift Complete3

Sequence coverage: 0.0 %, Completeness: 26.2 %, Completeness (bb): 23.8 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	26.2 % (200 of 762)	26.2 % (200 of 762)
Suger, PO4	23.8 % (130 of 546)	23.8 % (130 of 546)
Nucleobase	32.4 % (70 of 216)	32.4 % (70 of 216)
Aromatic	32.1 % (50 of 156)	32.1 % (50 of 156)
Methyl	33.3 % (6 of 18)	33.3 % (6 of 18)

1. helical turn of purine tract DNA

CCAAAGAGAA GCG

2. helical turn of purine tract DNA

CGCTTCTCTT TGG

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	helical turn of purine tract DNA			3.67 mM
2	helical turn of purine tract DNA			3.67 mM
3	IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE			3.67 mM
4	sodium phosphate			10 mM
5	H2O			90 %
6	D2O			10 %

Hide sample codition

Release date

2002-05-29

Citation

Structure of a beta-alanine-linked polyamide bound to a full helical turn of purine tract DNA in the 1:1 motif
Urbach, A.R., Love, J.J., Ross, S.A., Dervan, P.B.
J. Mol. Biol. (2002), 320, 55-71, PubMed 12079334 , DOI 10.1016/S0022-2836(02)00430-8 , Abstract

Related entities 1. helical turn of purine tract DNA, : 97 entities Detail

Related entities 2. helical turn of purine tract DNA, : 97 entities Detail

Experiments performed 1 experiments Detail