BMRB Entry 18902

Name: Solution structure of the major G-quadruplex formed in the human VEGF promoter: Insights into loop interactions of the parallel G-quadruplexes
Published: 2013-09-16

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PDB ID: 2m27
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18902
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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 of the major G-quadruplex formed in the human VEGF promoter: Insights into loop interactions of the parallel G-quadruplexes PubMed: 24005038

Deposition date: 2012-12-14 Original release date: 2013-09-16

Authors: Agrawal, Prashansa; Hatzakis, Emmanuel; Guo, Kexiao; Carver, Megan; Yang, Danzhou

Citation: Agrawal, Prashansa; Hatzakis, Emmanuel; Guo, Kexiao; Carver, Megan; Yang, Danzhou. "Solution structure of the major G-quadruplex formed in the human VEGF promoter in K+: insights into loop interactions of the parallel G-quadruplexes." Nucleic Acids Res. 41, 10584-10592 (2013).

Assembly members:
major_G-quadruplex, polymer, 22 residues, 6922.468 Da.

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

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
major_G-quadruplex: CGGGGCGGGCCTTGGGCGGG GT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	202

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	major_G-quadruplex	1

Entities:

Entity 1, major_G-quadruplex 22 residues - 6922.468 Da.

1

DC

DG

DC

DG

DC

2

DC

DT

DG

DC

DG

3

DG

DT

Samples:

sample_1: major_G-quadruplex 0.2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

X-PLOR NIH, Brunger - geometry optimization, refinement, structure solution

NMR spectrometers:

Bruker Avance 600 MHz