| EHMO Studies of the Structures and Reactivities of Oxyhemocyanin and Oxytyrosinase Bimiclear Copper Active Sites |
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| 作者姓名： | Feng VVenju Guo Ghunxiao and Wei Quan |
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| 作者单位： | Feng VVenju，Guo Ghunxiao and Wei Quan (Department of Chemistry，Jilin University，Changchun)Liu Yuexian (Plastics research institute of Jilin province，Changchun) |
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| 摘 要： | We have generated one possible active site structure of Oxyhemocyanin (Oxy-Hc) and two possible active site structures of Oxytyrosinase (Oxy-Ty) using the EHMO method. Oxy-Hc active site has a plane configuration, while Oxy-Ty has boat configuration. When there exist water molecules, two water molecules are connected with the Oxy-Ty active site weakly. Calculations for the reactions of Oxy-Hc and Oxy-Ty (the water-off) with phenol demonstrate that the former reaction is thermodynamically forbidden, while the latter Is realizable.
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EHMO Studies of the Structures and Reactivities of Oxyhemocyanin and Oxytyrosinase Bimiclear Copper Active Sites |
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| Feng VVenju,Guo Ghunxiao and Wei Quan.EHMO Studies of the Structures and Reactivities of Oxyhemocyanin and Oxytyrosinase Bimiclear Copper Active Sites[J].Chemical Research in Chinese University,1990(3). |
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| Authors: | Feng VVenju Guo Ghunxiao and Wei Quan |
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| Abstract: | We have generated one possible active site structure of Oxyhemocyanin (Oxy-Hc) and two possible active site structures of Oxytyrosinase (Oxy-Ty) using the EHMO method. Oxy-Hc active site has a plane configuration, while Oxy-Ty has boat configuration. When there exist water molecules, two water molecules are connected with the Oxy-Ty active site weakly. Calculations for the reactions of Oxy-Hc and Oxy-Ty (the water-off) with phenol demonstrate that the former reaction is thermodynamically forbidden, while the latter Is realizable. |
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| Keywords: | Oxyhemocyanin Oxytyrosinase EHMO calculation Structure and reactivities Binuclear copper active site |
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