BMRB: 5927

NMR Structure of a Cyclic Polyamide-DNA Complex

Authors

Zhang, Q., Dwyer, T., Tsui, V., Case, D., Cho, J., Dervan, P.B., Wemmer, D.E.

Assembly

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

Entity

1. TGTTA (polymer, Thiol state: not present), 11 monomers, 3428.168 Da Detail

GCCTGTTAGC G

2. TAACA (polymer, Thiol state: not present), 11 monomers, 3406.172 Da Detail

CGCTAACAGG C

3. CYE (non-polymer), 948.021 Da

Total weight

7782.361 Da

Max. entity weight

3428.168 Da

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 50.0 %, Completeness: 43.5 %, Completeness (bb): 49.4 % Detail

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Polymer type: polydeoxyribonucleotide

	Total	1H
All	43.5 % (94 of 216)	43.5 % (94 of 216)
Suger, PO4	49.4 % (76 of 154)	49.4 % (76 of 154)
Nucleobase	29.0 % (18 of 62)	29.0 % (18 of 62)
Aromatic	34.1 % (15 of 44)	34.1 % (15 of 44)
Methyl	75.0 % (3 of 4)	75.0 % (3 of 4)

1. TGTTA

GCCTGTTAGC G

2. TAACA

CGCTAACAGG C

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 7.0 (±0.2), Details The cyclic polyamide was synthesized as in ref(Cho, 1995) The duplex DNA were synthesized using the phosphite triester method on an Applied Biosystems 381A synthesizer and purified by HPLC(Pelton and Wemmer, 1989)

#	Name	Isotope labeling	Type	Concentration
1	TGTTA			1.0 ~ 2.5 mM
2	TAACA			1.0 ~ 2.5 mM
3	EDTA			0.1 mM
4	sodium phosphate			10 mM

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 50.0 %, Completeness: 43.8 %, Completeness (bb): 49.4 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polydeoxyribonucleotide

	Total	1H
All	43.8 % (189 of 432)	43.8 % (189 of 432)
Suger, PO4	49.4 % (152 of 308)	49.4 % (152 of 308)
Nucleobase	29.8 % (37 of 124)	29.8 % (37 of 124)
Aromatic	37.5 % (33 of 88)	37.5 % (33 of 88)
Methyl	50.0 % (4 of 8)	50.0 % (4 of 8)

1. TGTTA

GCCTGTTAGC G

2. TAACA

CGCTAACAGG C

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 7.0 (±0.2), Details The cyclic polyamide was synthesized as in ref(Cho, 1995) The duplex DNA were synthesized using the phosphite triester method on an Applied Biosystems 381A synthesizer and purified by HPLC(Pelton and Wemmer, 1989)

#	Name	Isotope labeling	Type	Concentration
1	TGTTA			1.0 ~ 2.5 mM
2	TAACA			1.0 ~ 2.5 mM
3	EDTA			0.1 mM
4	sodium phosphate			10 mM

Hide sample codition

Release date

2004-07-22

Citation

NMR structure of a cyclic polyamide-DNA complex
Zhang, Q., Dwyer, T.J., Tsui, V., Case, D.A., Cho, J., Dervan, P.B., Wemmer, D.E.
J. Am. Chem. Soc. (2004), 126, 7958-7966, PubMed 15212545 , DOI 10.1021/ja0373622 , Abstract

Experiments performed 2 experiments Detail