NDB ID: DDF077


Title:BINDING OF THE MODIFIED DAUNORUBICIN WP401 ADJACENT TO A T-G BASE PAIR INDUCES THE REVERSE WATSON-CRICK CONFORMATION: CRYSTAL STRUCTURES OF THE WP401-TGGCCG AND WP401-CGG[BR5C]CG COMPLEXES
Molecular Description:5'-D(TpGp(G49)pCpCpG)-3'
2'-BROMO-4'-EPIDAUNORUBICIN
Structural Features:RH DOUBLE HELIX
Nucleic Acid Sequence:
ChainA:(DT) (DG) (DG) (DC) (DC) (DG)
ChainB:(DT) (DG) (G49) (DC) (DC) (DG)
Primary Citation:Dutta, R., Gao, Y.G., Priebe, W., Wang, A.H.
Binding of the modified daunorubicin WP401 adjacent to a T-G base pair induces the reverse Watson-Crick conformation: crystal structures of the WP401-TGGCCG and WP401-CGG[br5C]CG complexes.
Nucleic Acids Res. , 26, pp. 3001 - 3005, 1998.
Experimental Information:X-RAY DIFFRACTION
Space Group: 43   2
Cell Constants:
a = 37.200b = 37.200c = 70.530(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the X-PLOR program. The R value is 24.5 for 2781 reflections in the resolution range 10.000 to 2.100 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)

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 RCSB Protein Data Bank: 381D

PubMed: 9611247




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