1O0K

Structure of the First Parallel DNA Quadruplex-drug Complex

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.17 Å

Starting Model: experimental
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This is version 1.4 of the entry. See complete history. 


Literature

Structure of the First Parallel DNA Quadruplex-drug Complex

Clark, G.R., Pytel, P.D., Squire, C.J., Neidle, S.

(2003) J Am Chem Soc 125: 4066-4067

  • DOI: https://doi.org/10.1021/ja0297988
  • Primary Citation of Related Structures:  
    1O0K

  • PubMed Abstract: 

    The first crystal structure of a drug (daunomycin) bound to a parallel-stranded intermolecular telomeric G4 quadruplex (d(TGGGGT)4) has been determined to high resolution. A planar assemblage of three daunomycin molecules stacks onto the 5' end of the G4 column, with the daunosamine substituents occupying three of the four quadruplex grooves. The surface area of the terminal G-quartet in this parallel DNA quadruplex, presently occupied by three daunomycins, is sufficiently large that it could easily accommodate other potential telomerase inhibitors such as substituted porphyrins or telomestatin.

    • Organizational Affiliation: 

    Department of Chemistry, University of Auckland, Auckland, New Zealand. g.clark@auckland.ac.nz


Macromolecules

Find similar nucleic acids by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains LengthOrganismImage
5'-D(*TP*GP*GP*GP*GP*T)-3'
A, B, C, D
6N/A
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.17 Å
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 53.004α = 90
b = 47.073β = 119.8
c = 31.865γ = 90
Software Package:
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
AMoREphasing
SHELXL-97refinement

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2003-04-15
    Type: Initial release
  • Version 1.1: 2008-04-29
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2024-02-14
    Changes: Data collection, Database references, Derived calculations
  • Version 1.4: 2024-04-03
    Changes: Refinement description