BMRB Entry 18724

Name: FUC_TBA
Published: 2012-10-18

Click here to enlarge.

PDB ID: 2lyg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18724
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:

FUC_TBA

Deposition date:

2012-09-18

Original release date:

2012-10-18

Authors:

Gomez-Pinto, Irene; Vengut-Climent, Empar; Lucas, Ricardo; Avi o, Anna; Eritja, Ramon; Gonzalez-Iba ez, Carlos; Morales, Juan Carlos

Citation:

Citation: Gomez-Pinto, Irene; Vengut-Climent, Empar; Lucas, Ricardo; Avi o, Anna; Eritja, Ramon; Gonzalez Iba ez, Carlos; Morales, Juan Carlos. "Monosaccharide interactions with G-quadruplex DNA: induced-fit effect on thrombin-binding aptamer with sugars at the 5 -end" J. Am. Chem. Soc. ., .-..

Assembly members:

Assembly members:
G-quadruplex_DNA, polymer, 15 residues, 4743.092 Da.
ALPHA-L-FUCOSE, non-polymer, 164.156 Da.
1,2-ETHANEDIOL, non-polymer, 62.068 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):
G-quadruplex_DNA: GGTTGGTGTGGTTGG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	183

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	G-quadruplex_DNA	1
2	ALPHA-L-FUCOSE	2
3	1,2-ETHANEDIOL	3

Entities:

Entity 1, G-quadruplex_DNA 15 residues - 4743.092 Da.

1

DG

DT

DG

DT

DG

DT

DG

2

DG

DT

DG

Entity 2, ALPHA-L-FUCOSE - C6 H12 O5 - 164.156 Da.

1

FUC

Entity 3, 1,2-ETHANEDIOL - C2 H6 O2 - 62.068 Da.

1

EDO

Samples:

sample_1: G-quadruplex_DNA 1 mM; ALPHA-L-FUCOSE 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 279.6 K

Experiments:

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

AMBER, Bruker Biospin, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman, Goddard - chemical shift assignment, processing, refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz