BMRB Entry 34611

Title:
Three-quartet c-kit2 G-quadruplex stabilized by a pyrene conjugate
Deposition date:
2021-03-16
Original release date:
2021-08-02
Authors:
Peterkova, K.; Durnik, I.; Marek, R.; Plavec, J.; Podbevsek, P.
Citation:

Citation: Peterkova, K.; Durnik, I.; Marek, R.; Plavec, J.; Podbevsek, P.. "c-kit2 G-quadruplex stabilized via a covalent probe: exploring G-quartet asymmetry"  Nucleic Acids Res. 49, 8947-8960 (2021).
PubMed: 34365512

Assembly members:

Assembly members:
entity_1, polymer, 21 residues, 6771.506 Da.
entity_K, non-polymer, 39.098 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: XGGGCGGGCGCTAGGGAGGG T

Data sets:
Data typeCount
13C chemical shifts32
1H chemical shifts134

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 21 residues - 6771.506 Da.

1   UTBDGDGDGDCDGDGDGDCDG
2   DCDTDADGDGDGDADGDGDG
3   DT

Entity 2, unit_2 - K - 39.098 Da.

1   K

Samples:

sample_1: c-kit2_py1 1.0 ± 0.1 mM; potassium phosphate 5 ± 0.5 mM; potassion chloride 20 ± 1.0 mM

sample_conditions_1: ionic strength: 25 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TopSpin v4.0.7, Bruker Biospin - collection

NMRFAM-SPARKY, National Magnetic Resonance Facility at Madison - chemical shift assignment

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

NMR spectrometers:

  • Bruker Bruker AVANCE NEO 600 MHz NMR spectrometer 600 MHz