BMRB Entry 25759

Name: Solution structure for quercetin complexed with c-myc G-quadruplex DNA
Published: 2016-09-12

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PDB ID: 2n6c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25759
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure for quercetin complexed with c-myc G-quadruplex DNA

Deposition date:

2015-08-18

Original release date:

2016-09-12

Authors:

Kumar, Amit; Tawani, Arpita

Citation:

Citation: Kumar, Amit; Tawani, Arpita. "Solution structure for quercetin complexed with c-myc G-quadruplex DNA" .

Assembly members:

Assembly members:
DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*GP*(DN)P*(DN))-3'), polymer, 26 residues, 7862.206 Da.
entity_QUE, 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:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*GP*(DN)P*(DN))-3'): TGAGGGTGGTGAGGGTGGGG AAGGXX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	57

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA (5'-D(TPGPAPGPGPGPTPGPGPTPGPAPGPGPGPTPGPGPGPGPAPAPGPGP(DN)P(DN))-3')	1
2	entity_QUE	2

Entities:

Entity 1, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*GP*(DN)P*(DN))-3') 26 residues - 7862.206 Da.

1

DT

DG

DA

DG

DT

DG

DT

2

DG

DA

DG

DT

DG

3

DA

DG

DN

Entity 2, entity_QUE - C15 H10 O7 - 302.236 Da.

1

QUE

Samples:

sample_1: DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*GP*(DN)P*(DN))-3') 2.3 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 100 mM; pH: 7.1; pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

Bruker Avance 400 MHz