BMRB Entry 34403

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34403
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
2'-F-riboguanosine modified G-quadruplex with V-loop
Deposition date:
2019-05-21
Original release date:
2019-11-01
Authors:
Haase, L.; Weisz, K.
Citation:

Citation: Haase, L.; Dickerhoff, J.; Weisz, K.. "Sugar Puckering Drives G-Quadruplex Refolding: Implications for V-Shaped Loops."  Chemistry 26, 524-533 (2020).
PubMed: 31609483

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:
Data typeCount
13C chemical shifts22
19F chemical shifts2
1H chemical shifts125

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 22 residues - 7008.473 Da.

1   DGDGDGDADTDGDGDGDADC
2   DADCDAGF2GF2DGDGDADCDG
3   DGDG

Samples:

sample_1: F1415 1.0 mM

sample_2: F1415 1.0 mM

sample_3: F1415, 15N 10% G1, 0.2 mM

sample_4: F1415, 15N 10% G2, 0.2 mM

sample_5: F1415, 15N 10% G3, 0.2 mM

sample_6: F1415, 15N 10% G6, 0.2 mM

sample_7: F1415, 15N 10% G17, 0.2 mM

sample_8: F1415, 15N 10% G8, 0.2 mM

sample_9: F1415, 15N 10% G16, 0.2 mM

sample_10: F1415, 15N 10% G17, 0.2 mM

sample_11: F1415, 15N 10% G20, 0.2 mM

sample_12: F1415, 15N 10% G21, 0.2 mM

sample_13: F1415, 15N 10% A9, 0.2 mM

sample_14: F1415, 15N 10% A11, 0.2 mM

sample_15: F1415, 15N 10% A13, 0.2 mM

sample_16: F1415(10MeC) 0.4 mM

sample_17: F1415(12MeC) 0.4 mM

sample_conditions_1: ionic strength: 15 mM; pH: 7; pressure: 1 atm; temperature: 313 K

sample_conditions_2: ionic strength: 15 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_2
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
1D 1H-15N HMBCsample_3isotropicsample_conditions_2
1D 1H-15N HMBCsample_4isotropicsample_conditions_2
1D 1H-15N HMBCsample_5isotropicsample_conditions_2
1D 1H-15N HMBCsample_6isotropicsample_conditions_2
1D 1H-15N HMBCsample_7isotropicsample_conditions_2
1D 1H-15N HMBCsample_8isotropicsample_conditions_2
1D 1H-15N HMBCsample_9isotropicsample_conditions_2
1D 1H-15N HMBCsample_10isotropicsample_conditions_2
1D 1H-15N HMBCsample_11isotropicsample_conditions_2
1D 1H-15N HMBCsample_12isotropicsample_conditions_2
1D 1H-15N HMBCsample_13isotropicsample_conditions_2
1D 1H-15N HMBCsample_13isotropicsample_conditions_1
1D 1H-15N HMBCsample_14isotropicsample_conditions_2
1D 1H-15N HMBCsample_14isotropicsample_conditions_1
1D 1H-15N HMBCsample_15isotropicsample_conditions_2
1D 1H-15N HMBCsample_15isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_16isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_16isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_17isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_17isotropicsample_conditions_1
2D DQF-COSYsample_16isotropicsample_conditions_2
2D DQF-COSYsample_16isotropicsample_conditions_1
2D DQF-COSYsample_17isotropicsample_conditions_2
2D DQF-COSYsample_17isotropicsample_conditions_1

Software:

TopSpin v4.0.4, Bruker Biospin - processing

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment

Xplor-NIH v2.49, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure calculation

NMR spectrometers:

  • Bruker AVANCE III 600 MHz