BASE-PAIRING CONFIGURATIONS BETWEEN PURINES AND PYRIMIDINES IN SOLID STATE .I. CRYSTAL AND MOLECULAR STRUCTURE OF A 1-2 PURINE-PYRIMIDINE HYDROGEN-BONDED COMPLEX - 9-ETHYLADENINE-1-METHYL-5-IODOURACIL

被引:36
作者
SAKORE, TD
TAVALE, SS
SOBELL, HM
机构
[1] Department of Chemistry, The University of Rochester, Rochester
[2] Department of Radiation Biology, Biophysics The University of Rochester, School of Medicine and Dentistry Rochester
基金
美国国家科学基金会; 美国国家卫生研究院;
关键词
D O I
10.1016/0022-2836(69)90346-5
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
9-Ethyladenine and 1-methyl-5-iodouracil form a 1:2 hydrogen-bonded complex in the crystalline state. The structure has been determined by three-dimensional X-ray diffraction methods and refined by block diagonal least squares to a final residual of 9.2%. The crystals are monoclinic, space group P21 c, with a = 15.13 A ̊, b = 8.60 A ̊, c = 20.11 A ̊ and β = 119 ° 42′. Two iodouracil residues interact with one adenine residue to form a planar trimer complex containing two different hydrogen-bonded configurations. One configuration is similar to that found in previous co-crystallization studies of adenine and uracil derivatives, and involves a Hoogsteen type base-pairing arrangement. The other base-pairing configuration resembles the Watson-Crick adenine-thymine base-pairing configuration, except that the iodouracil residue is reversed in its orientation, hydrogen-bonding involving the O(2) carbonyl oxygen, rather than O(4) as in the Watson-Crick scheme. The over-all crystal structure consists of an angulated sheet-like arrangement of trimer base pairs, held together by van der Waals' type interactions. The relationship of this structure to previous structures containing adenine and uracil derivatives is discussed. © 1969.
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页码:361 / &
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