mm:parameters:manganese:hhdhwa
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mm:parameters:manganese:hhdhwa [2013/08/06 14:56] ruineves |
mm:parameters:manganese:hhdhwa [2013/10/03 18:57] (current) ruineves |
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| ====== Manganese(III) - HHDHWa ====== | ====== Manganese(III) - HHDHWa ====== | ||
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| The coordination sphere of Manganese Superoxide Dismutase is located in a hydrophobic pocket formed by two subunits. In the resting state the manganese coordination geometry presents distorted trigonal bipyramidal geometry with two histidine and an aspartate equatorial ligands and a histidine and water/hydroxide in axial positions. | The coordination sphere of Manganese Superoxide Dismutase is located in a hydrophobic pocket formed by two subunits. In the resting state the manganese coordination geometry presents distorted trigonal bipyramidal geometry with two histidine and an aspartate equatorial ligands and a histidine and water/hydroxide in axial positions. | ||
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| - | | **Coordination Sphere** | **Oxidation State:** Mn(III) \\ **Spin Multiplicity:** 5 | | + | | **COORDINATION SPHERE** || |
| - | | {{ :mm:parameters:manganese:non-parameterized_hhdhw_.png?120 |}} | JMOL | | + | | {{ :mm:parameters:manganese:non-parameterized_hhdhw_.png?120 |}} | \\ **Oxidation State:** Mn(III) \\ **Spin Multiplicity:** 5 | |
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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/hhdhwa.1375797388.txt.gz · Last modified: 2013/08/06 14:56 by ruineves
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