BMRB Entry 34444

Name: 2&#039;-F-arabinoguanosine and 2&#039;-F-riboguanosine modified hybrid type G-quadruplex with V-loop
Published: 2020-03-20

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PDB ID: 6tc8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34444
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:

2'-F-arabinoguanosine and 2'-F-riboguanosine modified hybrid type G-quadruplex with V-loop

Deposition date:

2019-11-05

Original release date:

2020-03-20

Authors:

Haase, L.; Weisz, K.

Citation:

Citation: Haase, L.; Weisz, K.. "Switching the type of V-loop in sugar-modified G-quadruplexes through altered fluorine interactions" Chem. Commun. (Camb.) 56, 4539-4542 (2020).
PubMed: 32202271

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 7008.473 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 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):
entity_1: GGGATGGGACACAXXGGACG GG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	20
19F chemical shifts	2
1H chemical shifts	115

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 22 residues - 7008.473 Da.

1

DG

DA

DT

DG

DA

DC

2

DA

DC

DA

GFL

GF2

DG

DA

DC

DG

3

DG

Samples:

sample_1: A14F15 0.4 mM; potassium phosphate buffer 10 mM

sample_2: A14F15 0.4 mM; potassium phosphate buffer 10 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 19F-1H HOESY	sample_1	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - collection, processing

CcpNmr Analysis, CCPN - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

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

NMR spectrometers:

Bruker AVANCE NEO 600 MHz