BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18452

Title: Solution structure of a mini i-motif   PubMed: 23042679

Deposition date: 2012-05-09 Original release date: 2012-10-15

Authors: Escaja, N.; Viladoms, J.; Villasante, A.; Pedroso, E.; Gonzalez, C.

Citation: Escaja, Nuria; Viladoms, Julia; Garavis, Miguel; Villasante, Alfredo; Pedroso, Enrique; Gonzalez, Carlos. "A minimal i-motif stabilized by minor groove G:T:G:T tetrads."  Nucleic Acids Res. 40, 11737-11747 (2012).

Assembly members:
Synthetic_cyclic_oligonucleotide, polymer, 10 residues, 3017.002 Da.
DNA_1, polymer, 10 residues, 3321.197 Da.
entity_3, polymer, 10 residues, 945.025 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):
Synthetic_cyclic_oligonucleotide: TCGTTTCGTT
DNA_1: TCGTTTCGTT
entity_3: TCGTTTCGTT

Data sets:
Data typeCount
1H chemical shifts116

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Synthetic cyclic oligonucleotide1
2DNA_12
3entity_3_13
4entity_3_23

Entities:

Entity 1, Synthetic cyclic oligonucleotide 10 residues - 3017.002 Da.

1   DTDCDGDTDTDTDCDGDTDT

Entity 2, DNA_1 10 residues - 3321.197 Da.

1   DTDCDGDTDTDTDCDGDTDT

Entity 3, entity_3_1 10 residues - 945.025 Da.

1   THRCYSGLYTHRTHRTHRCYSGLYTHRTHR

Samples:

sample: Synthetic cyclic oligonucleotide 0.5 mM; NaCl 150 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 125 mM; pH: 5.0; pressure: 1 atm; temperature: 279 K

Experiments:

NameSampleSample stateSample conditions
NOESYsampleisotropicsample_conditions_1
DQF-COSYsampleisotropicsample_conditions_1

Software:

AMBER v7.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

  • Bruker avance 600 MHz
  • Bruker avance 800 MHz