BMRB Entry 25107

Title:
Human Telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with Flavonoid Quercetin
Deposition date:
2014-07-24
Original release date:
2015-01-26
Authors:
KUMAR, AMIT; TAWANI, ARPITA
Citation:

Citation: KUMAR, AMIT; TAWANI, ARPITA. "Structural Insight Reveals Flavonoids as Anticancer Agents"  .

Assembly members:

Assembly members:
DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3'), polymer, 7 residues, 2168.464 Da.
3,5,7,3',4'-PENTAHYDROXYFLAVONE, non-polymer, 302.236 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Experimental source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3'): TTAGGGT

Data sets:
Data typeCount
1H chemical shifts61

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')_11
2DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')_21
3DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')_31
4DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')_41
53,5,7,3',4'-PENTAHYDROXYFLAVONE_12
63,5,7,3',4'-PENTAHYDROXYFLAVONE_22

Entities:

Entity 1, DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')_1 7 residues - 2168.464 Da.

1   DTDTDADGDGDGDT

Entity 2, 3,5,7,3',4'-PENTAHYDROXYFLAVONE_1 - C15 H10 O7 - 302.236 Da.

1   QUE

Samples:

sample_1: DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3') 2.25 mM; D2O 10%; H2O 90%

sample_conditions_1: temperature: 298 K; pH: 7.2; pressure: 1 atm; ionic strength: 0.1 M

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

DISCOVER, Accelrys Software Inc. - structure solution

NMR spectrometers:

  • Bruker Avance 400 MHz
  • Bruker Avance 500 MHz