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Molecular Recognition of Guanine Metabolites and Drugs by Vacancy-Bearing G-Quadruplex in the PDGFR-b Promoter
Authors
Wang, K.B., Dickerhoff, J., Wu, G., Yang, D.
Assembly
DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3')
Entity
1. DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3'), entity 1 (polymer, Thiol state: not present), 19 monomers, 5992.877 Da Detail

XAGGGAGGGC GGCGGGACA


2. DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3'), entity DGP (non-polymer), 347.221 Da
Total weight
6340.098 Da
Max. entity weight
5992.877 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 94.7 %, Completeness: 96.4 %, Completeness (bb): 100.0 % Detail

Polymer type: polydeoxyribonucleotide

Total1H
All96.4 % (162 of 168)96.4 % (162 of 168)
Suger, PO4100.0 % (126 of 126)100.0 % (126 of 126)
Nucleobase85.7 % (36 of 42)85.7 % (36 of 42)
Aromatic100.0 % (36 of 36)100.0 % (36 of 36)

1. entity 1

XAGGGAGGGC GGCGGGACA

Sample

Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 288 K, pH 7.0, Details 3600 uM 1H DNA (5'-D(*(DA5)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*(DA3)P*-3')(DGP), 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1entity_1natural abundance3600 uM

Release date
2019-11-19
Citation
PDGFR-β Promoter Forms a Vacancy G-Quadruplex that Can Be Filled in by dGMP: Solution Structure and Molecular Recognition of Guanine Metabolites and Drugs
Wang, K.B., Dickerhoff, J., Wu, G., Yang, D.
J. Am. Chem. Soc. (2020), 142, 5204-5211, PubMed 32101424 , DOI 10.1021/jacs.9b12770 ,
Experiments performed 6 experiments Detail
Chemical shift validation 4 contents Detail
Keywords DNA, G-quadruplex, PDGFR-b, Promoter