NDB ID: BD0010


Title:MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATTCGCG): N6-METHOXYADENOSINE/ THYMIDINE BASE-PAIRS IN B-DNA
Molecular Description:5'-D(CpGpCpGp(A47)pApTpTpCpGpCpG)-3'
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA, B: (DC) (DG) (DC) (DG) (A47) (DA) (DT) (DT) (DC) (DG) (DC) (DG)
Primary Citation:Chatake, T., Hikima, T., Ono, A., Ueno, Y., Matsuda, A., Takenaka, A.
Crystallographic studies on damaged DNAs. II. N(6)-methoxyadenine can present two alternate faces for Watson-Crick base-pairing, leading to pyrimidine transition mutagenesis.
J.Mol.Biol. , 294, pp. 1223 - 1230, 1999.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 24.9b = 39.5c = 66.2(Ångstroms)
= 90.0 = 90.0 = 90.0(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, HANGING DROP
Drop:MPD, SODIUM CACODYLATE, MAGNESIUM ACETATE, NaCl, SPERMINE
Refinement:The structure was refined using the X-PLOR 3.843 program. The R value is 23.2 for 3303 reflections in the resolution range 5.0 to 2.0 Ångstroms with Fobs > 3.0 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: 457D

PubMed: 10600380




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