NDB ID: BD0053


Title:MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCAAATTMO4CGCG): THE WATSON-CRICK TYPE N4-METHOXYCYTIDINE/ADENOSINE BASE PAIR IN B-DNA
Molecular Description:5'-D(CpGpCpApApApTpTp(C45)pGpCpG)-3'
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA,B:(DC) (DG) (DC) (DA) (DA) (DA) (DT) (DT) (C45) (DG) (DC) (DG)
Primary Citation:Hossain, M.T., Sunami, T., Tsunoda, M., Hikima, T., Chatake, T., Ueno, Y., Matsuda, A., Takenaka, A.
Crystallographic studies on damaged DNAs IV. N(4)-methoxycytosine shows a second face for Watson-Crick base-pairing, leading to purine transition mutagenesis.
Nucleic Acids Res. , 29, pp. 3949 - 3954, 2001.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 24.8b = 40.3c = 65.5(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the CNS 1.0 program. The R value is 21.8 for reflections in the resolution range 10.0 to 1.6 Ångstroms with Fobs > 3.0 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: 1J8L

PubMed: 11574676




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