2MGN

Solution structure of a G-quadruplex bound to the bisquinolinium compound Phen-DC3

Experimental Data Snapshot

  • Method: SOLUTION NMR
  • Conformers Calculated: 100 
  • Conformers Submitted: 10 
  • Selection Criteria: structures with the lowest energy 

wwPDB Validation   3D Report Full Report


This is version 1.3 of the entry. See complete history. 


Literature

Solution Structure of a G-quadruplex Bound to the Bisquinolinium Compound Phen-DC3.

Chung, W.J., Heddi, B., Hamon, F., Teulade-Fichou, M.P., Phan, A.T.

(2014) Angew Chem Int Ed Engl 53: 999-1002

  • DOI: https://doi.org/10.1002/anie.201308063
  • Primary Citation of Related Structures:  
    2MGN

  • PubMed Abstract: 

    Phen-DC3 is a highly promising compound that specifically targets G-quadruplexes, with potent biological effects observed in vivo. We used NMR spectroscopy to solve the structure of the complex formed between Phen-DC3 and an intramolecular G-quadruplex derived from the c-myc promoter. Structural information revealed that Phen-DC3 interacts with the quadruplex through extensive π-stacking with guanine bases of the top G-tetrad. On the basis of our structure, modifications are proposed for the development of this compound for selective targeting of a specific G-quadruplex conformation.

    • Organizational Affiliation: 

    School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore).


Macromolecules

Find similar nucleic acids by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains LengthOrganismImage
5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3'24N/A
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
PQ3
Query on PQ3
Download Ideal Coordinates CCD File 
B [auth A]N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
C34 H26 N6 O2
TXHVLDXCHPTTDG-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: SOLUTION NMR
  • Conformers Calculated: 100 
  • Conformers Submitted: 10 
  • Selection Criteria: structures with the lowest energy 

Structure Validation

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View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2014-01-22
    Type: Initial release
  • Version 1.1: 2014-02-05
    Changes: Database references
  • Version 1.2: 2014-04-02
    Changes: Non-polymer description
  • Version 1.3: 2023-06-14
    Changes: Data collection, Database references, Derived calculations, Other