BMRB: 30402

Hybrid-2 form Human Telomeric G Quadruplex in Complex with Epiberberine

Authors

Lin, C., Yang, D.Z.

Assembly

DNA (26-MER)

Entity

1. DNA (26-MER), entity 1 (polymer, Thiol state: not present), 26 monomers, 8263.238 Da Detail

TTAGGGTTAG GGTTAGGGTT AGGGTT

2. DNA (26-MER), entity EWV (non-polymer), 336.361 Da

Total weight

8599.6 Da

Max. entity weight

8263.238 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 93.9 %, Completeness (bb): 96.7 % Detail

Download

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

Polymer type: polydeoxyribonucleotide

	Total	1H
All	93.9 % (229 of 244)	93.9 % (229 of 244)
Suger, PO4	96.7 % (176 of 182)	96.7 % (176 of 182)
Nucleobase	85.5 % (53 of 62)	85.5 % (53 of 62)
Aromatic	82.7 % (43 of 52)	82.7 % (43 of 52)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. entity 1

TTAGGGTTAG GGTTAGGGTT AGGGTT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 880 uM DNA (26-MER), 880 uM epiberberine, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA (26-MER)	natural abundance		880 uM
2	epiberberine	natural abundance		880 uM

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 38.5 %, Completeness: 49.4 %, Completeness (bb): 48.4 % Detail

Download

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

Polymer type: polydeoxyribonucleotide

	Total	1H
All	49.4 % (241 of 488)	49.4 % (241 of 488)
Suger, PO4	48.4 % (176 of 364)	48.4 % (176 of 364)
Nucleobase	52.4 % (65 of 124)	52.4 % (65 of 124)
Aromatic	50.0 % (52 of 104)	50.0 % (52 of 104)
Methyl	65.0 % (13 of 20)	65.0 % (13 of 20)

1. entity 1

TTAGGGTTAG GGTTAGGGTT AGGGTT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 880 uM DNA (26-MER), 880 uM epiberberine, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	DNA (26-MER)	natural abundance		880 uM
2	epiberberine	natural abundance		880 uM

Hide sample codition

Release date

2018-06-17

Citation

Molecular Recognition of the Hybrid-2 Human Telomeric G-quadruplex by Epiberberine: Insights into Conversion of Telomeric G-quadruplex Structures
Lin, C., Wu, G., Wang, K., Onel, B., Sakai, S., Shao, Y., Yang, D.
Angew. Chem Int Ed Engl. (2018), 57, 10888-10893, PubMed 29888501 , DOI 10.1002/anie.201804667 , Abstract

Related entities 1. DNA (26-MER), entity 1, : 2 entities Detail

Experiments performed 3 experiments Detail