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BMRB: 19387


19387
2MB3
Solution structure of an intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative
Authors
Chung, W., Heddi, B., Tera, M., Iida, K., Nagasawa, K., Phan, A.
Assembly
intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative
Entity
1. DNA (5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3') (polymer, Thiol state: not present), 24 monomers, 7654.853 Da Detail

TTGGGTTAGG GTTAGGGTTA GGGA


2. intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative, entity L2H (non-polymer), 686.675 Da
Total weight
8341.528 Da
Max. entity weight
7654.853 Da
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 85.9 %, Completeness (bb): 85.9 % Detail
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Polymer type: polydeoxyribonucleotide

Total1H31P
All85.9 % (213 of 248)84.8 % (190 of 224)95.8 % (23 of 24)
Suger, PO485.9 % (165 of 192)84.5 % (142 of 168)95.8 % (23 of 24)
Nucleobase85.7 % (48 of 56)85.7 % (48 of 56)
Aromatic83.3 % (40 of 48)83.3 % (40 of 48)
Methyl100.0 % (8 of 8)100.0 % (8 of 8)

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

TTGGGTTAGG GTTAGGGTTA GGGA

Show sample condition
Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
1DNA (5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3')natural abundance0.2 ~ 2.0 mM
2L2Hnatural abundance0.2 ~ 2.0 mM
3KPinatural abundance20 mM
4KClnatural abundance70 mM
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
5DNA (5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3')natural abundance0.2 ~ 2.0 mM
6L2Hnatural abundance0.2 ~ 2.0 mM
7KPinatural abundance20 mM
8KClnatural abundance70 mM
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
9DNA (5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3')[U-99% 13C; U-99% 15N]0.2 mM
10L2Hnatural abundance0.2 mM
11KPinatural abundance20 mM
12KClnatural abundance70 mM
Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
13DNA (5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3')[U-99% 13C; U-99% 15N]0.2 mM
14L2Hnatural abundance0.2 mM
15KPinatural abundance20 mM
16KClnatural abundance70 mM
Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
17DNA (5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3')[U-4% 13C]0.2 ~ 1.0 mM
18L2Hnatural abundance0.2 ~ 1.0 mM
19KPinatural abundance20 mM
20KClnatural abundance70 mM

Release date
2013-08-25
Citation
Solution structure of an intramolecular (3 + 1) human telomeric G-quadruplex bound to a telomestatin derivative
Chung, W., Heddi, B., Tera, M., Iida, K., Nagasawa, K., Phan, A.
J. Am. Chem. Soc. (2013), 135, 13495-13501, PubMed 23909929 , DOI 10.1021/ja405843r ,
Related entities 1. DNA (5'-D(*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*A)-3'), : 2 entities Detail
More details for 2 related entities
Experiments performed 14 experiments Detail
NMR combined restraints 6 contents Detail
Keywords anticancer targets, human telomere, intramolecular G-quadruplex, macrocyclic hexaoxazole, NMR, telomestatin derivative