NDB ID: BD0009


Title:MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATCCGCG): THE WATSON-CRICK TYPE N6-METHOXYADENOSINE/CYTIDINE BASE-PAIRS IN B-DNA
Molecular Description:5'-D(CpGpCpGp(A47)pApTpCpCpGpCpG)-3'
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA, B: (DC) (DG) (DC) (DG) (A47) (DA) (DT) (DC) (DC) (DG) (DC) (DG)
Primary Citation:Chatake, T., Ono, A., Ueno, Y., Matsuda, A., Takenaka, A.
Crystallographic studies on damaged DNAs. I. An N(6)-methoxyadenine residue forms a Watson-Crick pair with a cytosine residue in a B-DNA duplex.
J.Mol.Biol. , 294, pp. 1215 - 1222, 1999.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 25.1b = 39.9c = 65.8(Ångstroms)
= 90.0 = 90.0 = 90.0(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:MPD, SODIUM, CACODYLATE, MAGNESIUM ACETATE, SPERMINE
Refinement:The structure was refined using the X-PLOR 3.843 program. The R value is 19.6 for 7676 reflections in the resolution range 5.0 to 1.6 Ångstroms with Fobs > 0.0 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)

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: 456D

PubMed: 10600379




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