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BMRB: 4392


4392
1B0S
Binding of AR-1-144, a tri-imidazole DNA minor groove binder, to CCGG sequence analyzed by NMR spectroscopy
Authors
Yang, X.-L., Kaenzig, C., Lee, M., Wang, A.H.-J.
Assembly
DNA minor groove binder
Entity
1. DNA strand (polymer, Thiol state: not present), 10 monomers, 3107.976 × 2 Da Detail

GAACCGGTTC


2. (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM (non-polymer), 486.508 Da
Total weight
6702.46 Da
Max. entity weight
3107.976 Da
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 100.0 %, Completeness: 78.6 %, Completeness (bb): 85.7 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All78.6 % (77 of 98)78.6 % (77 of 98)
Suger, PO485.7 % (60 of 70)85.7 % (60 of 70)
Nucleobase60.7 % (17 of 28)60.7 % (17 of 28)
Aromatic75.0 % (15 of 20)75.0 % (15 of 20)
Methyl100.0 % (2 of 2)100.0 % (2 of 2)

1. DNA strand

GAACCGGTTC

Show sample condition
Sample

Temperature 275 (±1) K, pH 7.0 (±0.2)


#NameIsotope labelingTypeConcentration
1DNA minor groove binder1.25 mM

Chem. Shift Complete2
Sequence coverage: 100.0 %, Completeness: 44.4 %, Completeness (bb): 50.0 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All44.4 % (87 of 196)44.4 % (87 of 196)
Suger, PO450.0 % (70 of 140)50.0 % (70 of 140)
Nucleobase30.4 % (17 of 56)30.4 % (17 of 56)
Aromatic37.5 % (15 of 40)37.5 % (15 of 40)
Methyl50.0 % (2 of 4)50.0 % (2 of 4)

1. DNA strand

GAACCGGTTC

Show sample condition
Sample

Temperature 275 (±1) K, pH 7.0 (±0.2)


#NameIsotope labelingTypeConcentration
1DNA minor groove binder1.25 mM

Chem. Shift Complete3
Sequence coverage: 0.0 %, Completeness: 29.6 %, Completeness (bb): 33.3 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All29.6 % (87 of 294)29.6 % (87 of 294)
Suger, PO433.3 % (70 of 210)33.3 % (70 of 210)
Nucleobase20.2 % (17 of 84)20.2 % (17 of 84)
Aromatic25.0 % (15 of 60)25.0 % (15 of 60)
Methyl33.3 % (2 of 6)33.3 % (2 of 6)

1. DNA strand

GAACCGGTTC

Show sample condition
Sample

Temperature 275 (±1) K, pH 7.0 (±0.2)


#NameIsotope labelingTypeConcentration
1DNA minor groove binder1.25 mM

Release date
2007-07-12
Citation
Binding of AR-1-144, a tri-imidazole DNA minor groove binder, to CCGG sequence analyzed by NMR spectroscopy
Yang, X.-L., Kaenzig, C., Lee, M., Wang, A.H.-J.
Eur. J. Biochem. (1999), 263, 646-655, PubMed 10469127 , DOI: ,
Experiments performed 2 experiments Detail
nullKeywords Anticancer drug, DNA structure, drug design, Sequence specific recognition