NDB ID: DD0017


Title:RELEASE OF THE CYANO MOIETY IN THE CRYSTAL STRUCTURE OF N-CYANOMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN COMPLEXED WITH D(CGATCG)
Molecular Description:5'-D(CpGpApTpCpG)-3'
DAUNOMYCIN DERIVATIVE
Structural Features:RH DOUBLE HELIX
Nucleic Acid Sequence:
ChainA: (DC) (DG) (DA) (DT) (DC) (DG)
Primary Citation:Saminadin, P., Dautant, A., Mondon, M., Langlois D'estaintot, B., Courseille, C., Precigoux, G.
Release of the cyano moiety in the crystal structure of N-cyanomethyl-N-(2-methoxyethyl)-daunomycin complexed with d(CGATCG).
Eur.J.Biochem. , 267, pp. 457 - 464, 2000.
Experimental Information:X-RAY DIFFRACTION
Space Group: 41   21   2
Cell Constants:
a = 28.160b = 28.160c = 53.400(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:MPD, LiCl, MgCl2, SODIUM CACODYLATE, [CO(NH3)6]CL3
Reservoir:MPD
Refinement:The structure was refined using the X-PLOR program. The R value is 23 for 3220 reflections in the resolution range 12.60 to 1.54 Ångstroms with Fobs > 2.0 sigma(Fobs).

Biological Unit 1
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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: 482D

PubMed: 10632715




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