A Portal for Three-dimensional Structural Information about Nucleic Acids
As of 1-Dec-2021 number of released structures: 11785
Search for released structures

NDB ID: DD0064    PDB ID: 1XCS 


Title:

STRUCTURE OF OLIGONUCLEOTIDE/DRUG COMPLEX

Molecular Description:

5'-D(*CP*GP*TP*AP*CP*G)-3'
9-[(5-(ACETYLAMINO)-6-{[(1S
4R)-8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-1-(4-AMINOBUTYL)-2
3-DIOXOOCTYL]AMINO}-6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM

Deposited:

2004-09-03

Released:

2005-07-19

Structural Keywords:

B DOUBLE HELIX, FLIPPED-OUT BASE, BASE INTERCALATED, OVERHANGING BASE

Nucleic Acid Sequence:

Click to show/hide 1 nucleic acid sequences

Protein Sequence:

No Protein Sequence Found

Primary Citation:

Valls, N., Steiner, R.A., Wright, G., Murshudov, G.N., Subirana, J.A.
Variable role of ions in two drug intercalation complexes of DNA 
J.Biol.Inorg.Chem., 10, pp. 476 - 482, 2005.

Experimental Information:

X-RAY DIFFRACTION

Space Group:

C 2 2 2

Cell Constants:

a = 28.659   b = 53.473   c = 40.691 (Ångstroms)

α = 90.0   β = 90.0   γ = 90.0 (degrees)

Refinement:

The structure was refined using the REFMAC program. The R value is 0.19882 for 5550 reflections in the resolution range 40.82 to 1.4 Ångstroms with Fobs >  0.0 sigma(Fobs) and with I >  0.0 sigma(I)