BMRB Entry 34867

Name: Formation of left-handed helices by C2&#039;-fluorinated nucleic acids under physiological salt conditions
Published: 2024-06-20

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PDB ID: 8qor
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34867
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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:

Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions

Deposition date:

2023-09-29

Original release date:

2024-06-20

Authors:

El-Khoury, R.; Cabrero, C.; Movilla, S.; Friedland, D.; Thorpe, J.; Roman, M.; Orozco, M.; Gonzalez, C.; Damha, M.

Citation:

Citation: El-Khoury, Roberto; Cabrero, Cristina; Movilla, Santiago; Kaur, Harneesh; Friedland, David; Dominguez, Arnau; Thorpe, James; Roman, Morgane; Orozco, Modesto; Gonzalez, Carlos; Damha, Masad. "Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions" Nucleic Acids Res. 52, 7414-7428 (2024).
PubMed: 38874502

Assembly members:

Assembly members:
entity_1, polymer, 6 residues, 1918.151 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XXXXXX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
19F chemical shifts	6
1H chemical shifts	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1

Entities:

Entity 1, unit_1 6 residues - 1918.151 Da.

1

CFL

GF2

CFL

GF2

CFL

GF2

Samples:

sample_1: DNA (5'-D(*(CFL)P*(FRG)P*(CFL)P*(FRG)P*(CFL)P*(FRG))-3') 0.5 M

sample_conditions_1: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
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:

TopSpin, Bruker Biospin - collection, processing

NMRFAM-SPARKY, Goddard & Kneller - chemical shift assignment

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation

MOLMOL, Koradi, Billeter and Wuthrich - data analysis

3DNA, Lu & Olson - data analysis

NMR spectrometers:

Bruker AVANCE NEO 600 MHz