NDB ID: DD0040


Title:2.4 ANGSTROM CRYSTAL STRUCTURE OF AN OXALIPLATIN 1,2-D(GPG) INTRASTRAND CROSS-LINK IN A DNA DODECAMER DUPLEX
Molecular Description:5'-D(CpCpTpCpTpGpGpTpCpTpCpC)-3'
OXALIPLATIN
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainA:(DC) (DC) (DT) (DC) (DT) (DG) (DG) (DT) (DC) (DT) (DC) (DC)
ChainB:(DG) (DG) (DA) (DG) (DA) (DC) (DC) (DA) (DG) (DA) (DG) (DG)
Primary Citation:Spingler, B., Whittington, D.A., Lippard, S.J.
2.4 A crystal structure of an oxaliplatin 1,2-d(GpG) intrastrand cross-link in a DNA dodecamer duplex.
Inorg.Chem. , 40, pp. 5596 - 5602, 2001.
Experimental Information:X-RAY DIFFRACTION
Space Group: 2
Cell Constants:
a = 41.942b = 51.246c = 87.049(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the SHELXL-97 program. The R value is 23.0 for 4935 reflections in the resolution range 100. to 2.40 Ångstroms with Fobs > 4.0 sigma(Fobs).

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Coordinate + Structure Data

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

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

Biological Unit coordinates (pdb format)

Structure Factors (cif 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 Protein Data Bank: 1IHH

PubMed: 11599959




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