NDB ID: DDF062


Title:MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG)
Molecular Description:5'-D(CpGpApTpCpG)-3'
4'-DEOXY-4'-IODODOXORUBICIN
Structural Features:RH DOUBLE HELIX
Nucleic Acid Sequence:
ChainA:(DC) (DG) (DA) (DT) (DC) (DG)
Primary Citation:Berger, I., Su, L., Spitzner, J.R., Kang, C., Burke, T.G., Rich, A.
Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG).
Nucleic Acids Res. , 23, pp. 4488 - 4494, 1995.
Experimental Information:X-RAY DIFFRACTION
Space Group: 41   21   2
Cell Constants:
a = 27.730b = 27.730c = 52.490(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the X-PLOR program. The R value is 18.0 for 3028 reflections in the resolution range 10.000 to 1.500 Ångstroms with Fobs > 2.000 sigma(Fobs).

Biological Assembly 1
Other Views
Asymmetric Unit
Crystal Packing
Enlarge Biological Assembly 1



Coordinate + Structure Data

Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Assembly coordinates (pdb format)

XML | Complete with coordinates (xml format, GNU compressed(.gz))
XML | Coordinates only (xml format, GNU compressed(.gz))
XML | Header only (xml format, GNU compressed(.gz))

Derivative Data

Nucleic Acid Backbone Torsions

Base Pair Parameters

Base Pair Step Parameters

Hydrogen Bonding Classification

Links

The RCSB Protein Data Bank: 1IMS

PubMed: 7501474




ndbadmin@ndbserver.rutgers.edu
©1995-2013 The Nucleic Acid Database Project
Rutgers, The State University of New Jersey