BMRB Entry 30805

Title:
Solution structure of the major MYC promoter G-quadruplex in complex with NSC85697, a quinoline derivative
Deposition date:
2020-10-03
Original release date:
2021-06-18
Authors:
Dickerhoff, J.; Yang, D.
Citation:

Citation: Dickerhoff, Jonathan; Dai, Jixun; Yang, Danzhou. "Structural recognition of the MYC promoter G-quadruplex by a quinoline derivative: insights into molecular targeting of parallel G-quadruplexes"  Nucleic Acids Res. 49, 5905-5915 (2021).
PubMed: 33978746

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 7008.510 Da.
entity_WAM, non-polymer, 335.376 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: TGAGGGTGGGTAGGGTGGGT AA

Data sets:
Data typeCount
1H chemical shifts221

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22
3unit_32

Entities:

Entity 1, unit_1 22 residues - 7008.510 Da.

1   DTDGDADGDGDGDTDGDGDG
2   DTDADGDGDGDTDGDGDGDT
3   DADA

Entity 2, unit_2 - C20 H19 N2 O3 - 335.376 Da.

1   WAM

Samples:

sample_1: Myc2345_T23 0.7 mM; NSC85697 2.1 mM; potassium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 10 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
2D NOESYsample_1isotropicsample_conditions_2

Software:

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

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

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker DRX 600 MHz