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BMRB: 17379


17379
2L7V
QUI/G-quadruplex complex
Authors
Dai, J., Carver, M., Mathad, R., Yang, D.
Assembly
5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3', 2-CARBOXYQUINOXALINE
Entity
1. DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') (polymer), 22 monomers, 7071.480 Da Detail

TGAGGGTGGG TAGGGTGGGT AA


2. QUI (non-polymer), 174.156 × 2 Da
3. K (non-polymer), 39.098 × 2 Da
Total weight
7497.988 Da
Max. entity weight
7071.48 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 93.1 %, Completeness (bb): 95.5 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H
All93.1 % (189 of 203)93.1 % (189 of 203)
Suger, PO495.5 % (147 of 154)95.5 % (147 of 154)
Nucleobase85.7 % (42 of 49)85.7 % (42 of 49)
Aromatic86.4 % (38 of 44)86.4 % (38 of 44)
Methyl80.0 % (4 of 5)80.0 % (4 of 5)

1. DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')

TGAGGGTGGG TAGGGTGGGT AA

Show sample condition
Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6


#NameIsotope labelingTypeConcentration
1DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')natural abundance1 mM
2QUInatural abundance2 mM
3potassium phosphatenatural abundance10 mM
4DSSnatural abundance0.1 mM
5H2Onatural abundance90 %
6D2Onatural abundance10 %

Release date
2011-10-11
Citation
Solution structure of a 2:1 quindoline-c-MYC G-quadruplex: insights into G-quadruplex-interactive small molecule drug design
Dai, J., Carver, M., Hurley, L.H., Yang, D.
J. Am. Chem. Soc. (2011), 133, 17673-17680, PubMed 21967482 , DOI 10.1021/ja205646q ,
Experiments performed 3 experiments Detail
nullKeywords c-Myc promoter, DNA, G-quadruplex, NMR structure, QUI