A quantum chemistry calculation was carried out to study the mechanism of 5'-pTpTpCp-3' cleavage by the L/D-Ser-Hism. The effective molecular recognition between L/D-Ser-Hism and DNA through multi-hydrogen-bonds and the corresponding structural parameters were obtained. The results could be used to explain the mechanism of DNA cleavage by L/D-Ser-Hism.

L; D-Ser-Hism; 5'-pTpTpCp-3'segment; cleavage mechanism

South China University of Technology; South China Agricultural University