1DA2

MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO4CG): N4-METHOXYCYTOSINE/GUANINE BASE-PAIRS IN Z-DNA

Summary for 1DA2

• Entry DOI: 10.2210/pdb1da2/pdb
• Descriptor: DNA (5'-D(*CP*GP*CP*GP*(C45)P*G)-3') (2 entities in total)
• Functional Keywords: z-dna, double helix, modified, dna
• Total number of polymer chains: 2
• Total formula weight: 3680.46

Authors

Van Meervelt, L.,Moore, M.H.,Lin, P.K.T.,Brown, D.M.,Kennard, O. (deposition date: 1992-10-17, release date: 1993-07-15, Last modification date: 2024-02-07)

Primary citation

Van Meervelt, L.,Moore, M.H.,Lin, P.K.,Brown, D.M.,Kennard, O.
Molecular and crystal structure of d(CGCGmo4CG): N4-methoxycytosine.guanine base-pairs in Z-DNA.
J.Mol.Biol., 216:773-781, 1990

PubMed Abstract: The base analogue N4-methoxycytosine (mo4C) is ambivalent in its hydrogen-bonding potential, since it forms stable base-pairs with both adenine and guanine in oligomer duplexes. To investigate the base-pair geometry, the structure of d(CGCGmo4CG) has been determined by single-crystal X-ray diffraction techniques. The d(CGCGmo4CG)2 crystallized in a left-handed double helical structure (Z-type). Refinement using 2559 reflections between 10 and 1.7 A converged with a final R = 0.181 (Rw = 0.130) including 68 solvent molecules. The orthorhombic crystals are in the space group P2(1)2(1)2(1), with cell dimensions a = 18.17 A, b = 30.36 A, c = 43.93 A. The mo4C.G base-pair is of the wobble type, with mo4C in the imino form, and the methoxy group in the syn configuration.

PubMed: 2258939
DOI: 10.1016/0022-2836(90)90398-6

Experimental method

X-RAY DIFFRACTION (1.7 Å)