BMRB Entry 17379

Name: QUI/G-quadruplex complex
Published: 2011-10-12

Click here to enlarge.

PDB ID: 2l7v
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17379
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

QUI/G-quadruplex complex

Deposition date:

2010-12-23

Original release date:

2011-10-12

Authors:

Dai, Jixun; Carver, Megan; Mathad, Ravi; Yang, Danzhou

Citation:

Citation: Dai, Jixun; Carver, Megan; Hurley, Laurence; Yang, Danzhou. "Solution structure of a 2:1 quindoline-c-MYC G-quadruplex: insights into G-quadruplex-interactive small molecule drug design." J. Am. Chem. Soc. 133, 17673-17680 (2011).
PubMed: 21967482

Assembly members:

Assembly members:
DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')_, polymer, 22 residues, 7008.566 Da.
QUI, non-polymer, 174.156 Da.
K, non-polymer, 39.098 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')_: TGAGGGTGGGTAGGGTGGGT AA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	208

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA_(5'-D(TPGPAPGPGPGPTPGPGPGPTPAPGPGPGPTPGPGPGPTPAPA)-3')	1
2	2-CARBOXYQUINOXALINE_1	2
3	2-CARBOXYQUINOXALINE_2	2
4	POTASSIUM ION_1	3
5	POTASSIUM ION_2	3

Entities:

Entity 1, DNA_(5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') 22 residues - 7008.566 Da.

1

DT

DG

DA

DG

DT

DG

2

DT

DA

DG

DT

DG

DT

3

DA

Entity 2, 2-CARBOXYQUINOXALINE_1 - C9 H6 N2 O2 - 174.156 Da.

1

QUI

Entity 3, POTASSIUM ION_1 - K - 39.098 Da.

1

K

Samples:

sample_1: DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3') 1 mM; QUI 2 mM; potassium phosphate 10 mM; DSS 0.1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.01 M; pH: 6; pressure: 1 atm; temperature: 308 K

Experiments:

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

Software:

InsightII v2003, Accelrys Software Inc. - refinement

NMR spectrometers:

Bruker DRX 600 MHz