BMRB Entry 18724
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18724
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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: 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:
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: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
G-quadruplex_DNA: GGTTGGTGTGGTTGG
- assigned_chemical_shifts
Data type | Count |
1H chemical shifts | 183 |
Additional metadata:
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 | DG | DT | DT | DG | DG | DT | DG | DT | DG | ||||
2 | DG | DT | DT | DG | 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