Molecular orbital study of the effects of ionic amino acid residues on proton transfer energetics in the active site of carboxypeptidase a |
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Authors: | Setsuko Nakagawa Hideaki Umeyama |
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Affiliation: | School of Pharmaceutical Sciences, Kitasato University, 9-1, Shirokane 5 chome, Minato-Ku, Tokyo 108, Japan |
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Abstract: | As part of a study of the catalytic mechanism of carboxypeptidase A, two proton transfers in the system Glu 270 H2OZnHis 69-Asp 142 are treated with an ab initio MO method. Results show that the proton transfers are strongly affected by the environment. It is predicted that the proton between His 69 and Asp 142 is covalently bonded to His 69. |
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