mm:parameters:manganese:dedwawawa
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mm:parameters:manganese:dedwawawa [2013/07/26 14:07] ruineves |
mm:parameters:manganese:dedwawawa [2013/10/03 18:51] (current) ruineves |
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| ====== Manganese(II) - DEDWaWaWa ====== | ====== Manganese(II) - DEDWaWaWa ====== | ||
| + | ### | ||
| + | Muconate Cycloisomerase shows preference on manganese(II) over the magnesium ion to perform. | ||
| + | Its coordination sphere is similar to the one found in chloromuconate cycloisomerase, with two aspartates and a glutamate. | ||
| + | ### | ||
| - | | **Coordination Sphere** | **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | | + | | **COORDINATION SPHERE** || |
| - | | {{ :mm:parameters:manganese:non-parameterized_dedwww_.png?200 |}} | {{ :mm:parameters:manganese:octahedral_highspin_d5.png?400|}} ((The schemes represent geometrical dispositions for crystal lattices. These should be roughly similar to the corresponding distorted geometries in enzymatic coordination spheres.)) | | + | | {{ :mm:parameters:manganese:non-parameterized_dedwww_.png?120 |}} | \\ **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | |
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| | W2 | 1.7683 | 0.152 | | | W2 | 1.7683 | 0.152 | | ||
| | W3 | 1.7683 | 0.152 | | | W3 | 1.7683 | 0.152 | | ||
| - | | HM | 0.6000 | 0.0157 | [[LINK | [Cornel, 1995]]] | | + | | HM | 0.6000 | 0.0157 | [[http://pubs.acs.org/doi/abs/10.1021/ja00124a002 | [Cornell, 1995]]] | |
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| ===== References ===== | ===== References ===== | ||
| + | ### | ||
| 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 | ||
| + | ### | ||
mm/parameters/manganese/dedwawawa.1374844071.txt.gz · Last modified: 2013/07/26 14:07 by ruineves
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