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Nucleic Acids Research, 1988, Vol. 16, No. 2 385-393
© 1988

Articles

Analysis of conformational parameters in nucleic acid fragments. II. Co-crystal complexes of nucleic acid bases

C.C. Wilson

Neutron Division, Rutherford Appleton Laboratory Chilton, Didcot, Oxon OX11 0QX, UK

Received November 10, 1987. Accepted December 17, 1987.

Studies have been made of conformational parameters in co-crystal complexes and compounds of nucleic acid bases in which there is the possibility of formation of hetero-base-pairs. Using published data extracted from the Cambridge structural database, a total of 37 base-pairs were found, of which 25 were hetero-pairs and 12 homo-pairs. These base-pairs were subject to analysis to reveal hydrogen bond parameters, propeller twist, buckle and C1'-C1' separation (or a sinilar parameter if C1' atoms were not present). Hetero-pairs were found to show larger twists than homo-pairs, the magnitude of twist being unrelated to hydrogen bond parameters or buckle value. The propeller twisting is less pronounced in these nucleic acid bases than in nucleosides, but still has a significant magnitude. Propeller twisting in hetero-pairs is found to be larger than in homo-pairs. Hetero-pairs appear to be formed preferentially in competitive situations.


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