BMRB Entry 30688

Title:
Molecular Recognition of Guanine Metabolites and Drugs by Vacancy-Bearing G-Quadruplex in the PDGFR-b Promoter
Deposition date:
2019-11-18
Original release date:
2020-03-05
Authors:
Wang, K.; Dickerhoff, J.; Wu, G.; Yang, D.
Citation:

Citation: Wang, Kai-Bo; Dickerhoff, Jonathan; Wu, Guanhui; Yang, Danzhou. "PDGFR-beta Promoter Forms a Vacancy G-Quadruplex that Can Be Filled in by dGMP: Solution Structure and Molecular Recognition of Guanine Metabolites and Drugs"  J. Am. Chem. Soc. 142, 5204-5211 (2020).
PubMed: 32101424

Assembly members:

Assembly members:
entity_1, polymer, 19 residues, 5929.906 Da.
entity_DGP, non-polymer, 347.221 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XAGGGAGGGCGGCGGGACA

Data sets:
Data typeCount
1H chemical shifts178

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 19 residues - 5929.906 Da.

1   3D1DADGDGDGDADGDGDGDC
2   DGDGDCDGDGDGDADCDA

Entity 2, entity_2 - C10 H14 N5 O7 P - 347.221 Da.

1   DGP

Samples:

sample_1: entity_1 3600 uM

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 760 mmHg; temperature: 288 K

sample_conditions_2: ionic strength: 50 mM; pH: 7; pressure: 760 mmHg; temperature: 298 K

sample_conditions_3: ionic strength: 50 mM; pH: 7; pressure: 760 mmHg; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_3
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_3
2D 1H-13C HSQCsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_3
2D 1H-1H NOESYsample_1isotropicsample_conditions_2

Software:

Sparky, Goddard - chemical shift assignment, peak picking

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

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

TopSpin, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE III 800 MHz