BMRB Entry 17401

Title:
NMR Spectroscopy and Molecular Dynamics Simulation of r(CCGCUGCGG)2 Reveal a Dynamic UU Internal Loop Found in Myotonic Dystrophy Type 1
Deposition date:
2011-01-07
Original release date:
2011-02-04
Authors:
Parkesh, Raman; Fountain, Matthew; Disney, Matthew
Citation:

Citation: Parkesh, Raman; Fountain, Matthew; Disney, Matthew. "NMR Spectroscopy and Molecular Dynamics Simulation of r(CCGCUGCGG)(2) Reveal a Dynamic UU Internal Loop Found in Myotonic Dystrophy Type 1."  Biochemistry 50, 599-601 (2011).
PubMed: 21204525

Assembly members:

Assembly members:
RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_, polymer, 9 residues, 2862.776 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RNA_(5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_: CCGCUGCGG

Data sets:
Data typeCount
1H chemical shifts47

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_11
2RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_21

Entities:

Entity 1, RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3')_1 9 residues - 2862.776 Da.

1   CCGCUGCGG

Samples:

rCCGCUGCGG: RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3') 1.5 ± 0.1 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.2; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYrCCGCUGCGGisotropicsample_conditions_1
2D 1H-1H NOESYrCCGCUGCGGisotropicsample_conditions_1
2D 1H-1H TOCSYrCCGCUGCGGisotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization

SPARKY v3.111, Goddard - chemical shift assignment, data analysis, peak picking

AMBER v11, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement, structure solution

NMR spectrometers:

  • Varian INOVA 500 MHz