BMRB Entry 18452

Name: Solution structure of a mini i-motif
Published: 2012-10-15

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PDB ID: 2lsx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18452
MolProbity Validation Chart

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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:

Solution structure of a mini i-motif

Deposition date:

2012-05-09

Original release date:

2012-10-15

Authors:

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

Citation:

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).
PubMed: 23042679

Assembly members:

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:

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):
Synthetic_cyclic_oligonucleotide: TCGTTTCGTT
DNA_1: TCGTTTCGTT
entity_3: TCGTTTCGTT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	116

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Synthetic cyclic oligonucleotide	1
2	DNA_1	2
3	entity_3_1	3
4	entity_3_2	3

Entities:

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

1

DT

DC

DG

DT

DC

DG

DT

Entity 2, DNA_1 10 residues - 3321.197 Da.

1

DT

DC

DG

DT

DC

DG

DT

Entity 3, entity_3_1 10 residues - 945.025 Da.

1

THR

CYS

GLY

THR

CYS

GLY

THR

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:

Name	Sample	Sample state	Sample conditions
NOESY	sample	isotropic	sample_conditions_1
DQF-COSY	sample	isotropic	sample_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