4E8X | pdb_00004e8x

Lambda-[Ru(TAP)2(dppz-(Me)2)]2+ bound to d(CCGGCGCCGG)2

  • Classification: DNA
  • Mutation(s): No 

  • Deposited: 2012-03-20 Released: 2013-03-20 
  • Deposition Author(s): Hall, J.P., Cardin, C.J.

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.18 Å
  • R-Value Free: 
    0.284 (Depositor), 0.280 (DCC) 
  • R-Value Work: 
    0.233 (Depositor), 0.230 (DCC) 
  • R-Value Observed: 
    0.235 (Depositor) 

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Ligand Structure Quality Assessment 


This is version 1.2 of the entry. See complete history. 


Literature

The effects of disubstitution on the binding of ruthenium complexes to DNA

Hall, J.P.

(2014) Thesis 


Macromolecules

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Entity ID: 1
MoleculeChains LengthOrganismImage
5'-D(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3'10N/A
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
RML
Query on RML
Download Ideal Coordinates CCD File 
C [auth A](11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)
C40 H26 N12 Ru
GGHWDMRPXFPGCU-UHFFFAOYSA-N
BA
Query on BA
Download Ideal Coordinates CCD File 
B [auth A]BARIUM ION
Ba
XDFCIPNJCBUZJN-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.18 Å
  • R-Value Free:  0.284 (Depositor), 0.280 (DCC) 
  • R-Value Work:  0.233 (Depositor), 0.230 (DCC) 
  • R-Value Observed: 0.235 (Depositor) 
Space Group: P 43 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 47.09α = 90
b = 47.09β = 90
c = 34.13γ = 90
Software Package:
Software NamePurpose
REFMACrefinement

Structure Validation

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Ligand Structure Quality Assessment 


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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2013-03-20
    Type: Initial release
  • Version 1.1: 2017-03-08
    Changes: Database references
  • Version 1.2: 2024-02-28
    Changes: Data collection, Database references, Derived calculations