mm:parameters:manganese:hdewawawa
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mm:parameters:manganese:hdewawawa [2013/08/06 15:01] ruineves |
mm:parameters:manganese:hdewawawa [2013/10/03 18:54] (current) ruineves |
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| ====== Manganese(II) - HDEWaWaWa ====== | ====== Manganese(II) - HDEWaWaWa ====== | ||
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| In Citochrome //c// Oxidase the manganese ion has a nonredox role. | In Citochrome //c// Oxidase the manganese ion has a nonredox role. | ||
| Manganese(II) is bonded to residues from different subunits: a glutamate, an aspartate and histidine ligands and possibly one to three water molecules. The glutamate ligand is also coordinated to a copper atom and the histidine is hydrogen bonded to a heme //a3// propionate. | Manganese(II) is bonded to residues from different subunits: a glutamate, an aspartate and histidine ligands and possibly one to three water molecules. The glutamate ligand is also coordinated to a copper atom and the histidine is hydrogen bonded to a heme //a3// propionate. | ||
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| - | + | | **COORDINATION SPHERE** || | |
| - | | **Coordination Sphere** | **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | | + | | {{ :mm:parameters:manganese:non-parameterized_hdewww_.png?120 |}} | \\ **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | |
| - | | {{ :mm:parameters:manganese:non-parameterized_hdewww_.png?120 |}} | JMOL | | + | |
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| ===== References ===== | ===== References ===== | ||
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| Neves, R.P.P.; Sousa, S.F.; Fernandes, P.A.; Ramos, M.J.. [[http://pubs.acs.org/doi/abs/10.1021/ct400055v | Parameters for Molecular Dynamics Simulations of Manganese-Containing Metalloproteins]] . //J. Chem. Theory Comput.//, **2013**, 9 (6), 2718–2732 | Neves, R.P.P.; Sousa, S.F.; Fernandes, P.A.; Ramos, M.J.. [[http://pubs.acs.org/doi/abs/10.1021/ct400055v | Parameters for Molecular Dynamics Simulations of Manganese-Containing Metalloproteins]] . //J. Chem. Theory Comput.//, **2013**, 9 (6), 2718–2732 | ||
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mm/parameters/manganese/hdewawawa.1375797664.txt.gz · Last modified: 2013/08/06 15:01 by ruineves
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