BMRB Entry 6537

Name: Small Molecule Ligand Induces Nucleotide Flipping in (CAG)n Trinucleotide Repeats
Published: 2005-07-26

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6537

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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:

Small Molecule Ligand Induces Nucleotide Flipping in (CAG)n Trinucleotide Repeats

Deposition date:

2005-03-07

Original release date:

2005-07-26

Authors:

Nakatani, Kazuhiko; Hagihara, Shinya; Goto, Yuki; Kobori, Akio; Hagihara, Masaki; Hayashi, Gosuke; Kyo, Motoki; Nomura, Makoto; Mishima, Masaki; Kojima, Chojiro

Citation:

Citation: Nakatani, Kazuhiko; Hagihara, Shinya; Goto, Yuki; Kobori, Akio; Hagihara, Masaki; Hayashi, Gosuke; Kyo, Motoki; Nomura, Makoto; Mishima, Masaki; Kojima, Chojiro. "Small-molecule ligand induces nucleotide flipping in (CAG)(n) trinucleotide repeats." Nat. Chem. Biol. 1, 39-43 (2005).
PubMed: 16407992

Assembly members:

Assembly members:
5'-d(CTAACAGAATG)-3', polymer, 11 residues, Formula weight is not available
5'-d(CATTCAGTTAG)-3', polymer, 11 residues, Formula weight is not available
NAZ, non-polymer, 459.500 Da.

Natural source:

Natural source: Common Name: Synthesis Taxonomy ID: not available Superkingdom: Other Kingdom: Not applicable Genus/species: Synthesis Synthesis

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
5'-d(CTAACAGAATG)-3': CTAACAGAATG
5'-d(CATTCAGTTAG)-3': CATTCAGTTAG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts

Data type	Count
1H chemical shifts	196

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	5'-d(CTAACAGAATG)-3'	1
2	5'-d(CATTCAGTTAG)-3'	2
3	Naphthyridine-Azaquinolone, 1	3
4	Naphthyridine-Azaquinolone, 2	3

Entities:

Entity 1, 5'-d(CTAACAGAATG)-3' 11 residues - Formula weight is not available

1

DC

DT

DA

DC

DA

DG

DA

DT

2

DG

Entity 2, 5'-d(CATTCAGTTAG)-3' 11 residues - Formula weight is not available

1

DC

DA

DT

DC

DA

DG

DT

DA

2

DG

Entity 3, Naphthyridine-Azaquinolone, 1 - C24 H25 N7 O3 - 459.500 Da.

1

NAZ

Samples:

sample_1: 5'-d(CTAACAGAATG)-3' 0.8 mM; 5'-d(CATTCAGTTAG)-3' 0.8 mM; Naphthyridine-Azaquinolone, 1 0.8 mM; Naphthyridine-Azaquinolone, 2 0.8 mM

normal_condition: pH: 6.5; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions

Software:

No software information available

NMR spectrometers:

Bruker DRX 800 MHz