BMRB Entry 25651

Name: Isolation and structural characterization of an active G-quadruplex motif from AGRO100
Published: 2016-07-05

Click here to enlarge.

PDB ID: 2n3m
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25651
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:

Isolation and structural characterization of an active G-quadruplex motif from AGRO100

Deposition date:

2015-06-05

Original release date:

2016-07-05

Authors:

Chung, Wan Jun; Heddi, Brahim; Phan, Anh Tuan

Citation:

Citation: Chung, Wan Jun; Heddi, Brahim; Phan, Anh Tuan. "Isolation and structural characterization of an active G-quadruplex motif from AGRO100" .

Assembly members:

Assembly members:
DNA_(28-MER), polymer, 28 residues, 8872.726 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_(28-MER): TGGTGGTGGTTGTTGTGGTG GTGGTGGT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	247

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNA (28-MER)	1

Entities:

Entity 1, DNA (28-MER) 28 residues - 8872.726 Da.

1

DT

DG

DT

DG

DT

DG

DT

2

DT

DG

DT

DG

DT

DG

DT

DG

3

DG

DT

DG

DT

DG

DT

Samples:

sample_1: DNA (28-MER)1.2 – 2 mM; KPi 20 mM; KCl 70 mM; H20 90%; D20 10%

sample_2: DNA (28-MER), [U-2% 15N], 0.2 – 1 mM; KPi 20 mM; KCl 70 mM; H20 90%; D20 10%

sample_3: DNA (28-MER)1.2 – 2 mM; KPi 20 mM; KCl 70 mM; D20 100%

sample_4: DNA (28-MER), [U-100% 2H], 0.2 – 1 mM; KPi 20 mM; KCl 70 mM; D20 100%

sample_conditions_1: ionic strength: 90 mM; pH: 7; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_1
1D 15N-Filtered	sample_2	isotropic	sample_conditions_1
1D D-labeled	sample_4	isotropic	sample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - geometry optimization, refinement, structure solution

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement, structure solution

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz