mm:parameters:manganese:hhewawa
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mm:parameters:manganese:hhewawa [2013/08/05 19:00] ruineves |
mm:parameters:manganese:hhewawa [2013/10/03 18:58] (current) ruineves |
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| ====== Manganese(II) - HHEWaWa ====== | ====== Manganese(II) - HHEWaWa ====== | ||
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| + | Homoprotocatechuate-2,3-deoxygenase is shown to have five ligands bonded to the iron(II) ion: a glutamate, two histidines and two waters in a square pyramidal geometry. The ligands in manganese(II) deoxygenases are likely to be the same. | ||
| + | Other studies show, however, that it might be hexacoordinated with three solvent molecules occupying ligand positions. | ||
| + | ### | ||
| - | + | | **COORDINATION SPHERE** || | |
| - | + | | {{ :mm:parameters:manganese:non-parameterized_hheww_.png?120 |}} | \\ **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 5 | | |
| - | | **Coordination Sphere** | **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 5 | | + | |
| - | | {{ :mm:parameters:manganese:non-parameterized_hheww_.png?200 |}} | IMAGE2 ((The schemes represent geometrical dispositions for crystal lattices. These should be roughly similar to the corresponding distorted geometries in enzymatic coordination spheres.)) | | + | |
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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/hhewawa.1375725600.txt.gz · Last modified: 2013/08/05 19:00 by ruineves
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