NDB ID: BD0048


Title:MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATT(MO4)CGCG): THE WATSON-CRICK TYPE AND WOBBLE N4-METHOXYCYTIDINE/GUANOSINE BASE PAIRS IN B-DNA
Molecular Description:5'-D(CpGpCpGpApApTpTp(C45)pGpCpGP)-3'
Structural Features:B DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA,B:(DC) (DG) (DC) (DG) (DA) (DA) (DT) (DT) (C45) (DG) (DC) (DG)
Primary Citation:Hossain, M.T., Chatake, T., Hikima, T., Tsunoda, M., Sunami, T., Ueno, Y., Matsuda, A., Takenaka, A.
Crystallographic studies on damaged DNAs: III. N(4)-methoxycytosine can form both Watson-Crick type and wobbled base pairs in a B-form duplex.
J.Biochem.(Tokyo) , 130, pp. 9 - 12, 2001.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 25.182b = 40.877c = 63.731(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the CNS 1.0 program. The R value is 22.4 for 8895 reflections in the resolution range 10. to 1.6 Ångstroms with Fobs > 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: 1I3T

PubMed: 11432773




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