1I47

MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATT(MO4)CGCG): THE WATSON-CRICK TYPE AND WOBBLE N4-METHOXYCYTIDINE/GUANOSINE BASE PAIRS IN B-DNA

Summary for 1I47

• Entry DOI: 10.2210/pdb1i47/pdb
• Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(C45)P*GP*CP*GP)-3', MAGNESIUM ION (3 entities in total)
• Functional Keywords: n4-methoxycytosine, damaged dna, b-dna, double helix, deoxyribonucleic acid, dna
• Total number of polymer chains: 2
• Total formula weight: 7411.14

Authors

Hossain, M.T.,Hikima, T.,Chatake, T.,Tsunoda, M.,Sunami, T.,Ueno, Y.,Matsuda, A.,Takenaka, A. (deposition date: 2001-02-20, release date: 2003-02-11, Last modification date: 2023-08-09)

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), 130:9-12, 2001

PubMed Abstract: To investigate the mutation mechanism of purine transition in DNA damaged with methoxyamine, a DNA dodecamer with the sequence d(CGCGAATTmo(4)CGCG), where mo(4)C is 2'-deoxy-N(4)-methoxycytidine, has been synthesized and its crystal structure determined. Two dodecamers form a B-form duplex. Electron density maps clearly show that one of the two mo(4)C residues forms a pair with a guanine residue of the opposite strand, the geometry being the canonical Watson-Crick type, and that the other mo(4)C residue forms a wobble pair with the opposite guanine residue. These two pairings are ascribed to the tautomerization of the methoxylated cytosine moieties between the amino and imino forms.

PubMed: 11432773

Experimental method

X-RAY DIFFRACTION (2.1 Å)