mm:parameters:manganese:ed_py2_wawa
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mm:parameters:manganese:ed_py2_wawa [2013/08/06 15:04] ruineves |
mm:parameters:manganese:ed_py2_wawa [2013/10/03 18:55] (current) ruineves |
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| ====== Manganese(II) - ED[PY2]WaWa ====== | ====== Manganese(II) - ED[PY2]WaWa ====== | ||
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| In Pyruvate Kinase manganese(II) mediates the allosteric communication between the phosphoenolpyruvate and fructose-1,6-bisphosphate. | In Pyruvate Kinase manganese(II) mediates the allosteric communication between the phosphoenolpyruvate and fructose-1,6-bisphosphate. | ||
| Crystal structures suggest that manganese(II) bonds to aspartate, glutamate and the oxygen from a carbonyl and carboxylate groups from a pyruvate ligand. | Crystal structures suggest that manganese(II) bonds to aspartate, glutamate and the oxygen from a carbonyl and carboxylate groups from a pyruvate ligand. | ||
| A water molecule is referred as participating in the octahedral coordination of manganese(II). | A water molecule is referred as participating in the octahedral coordination of manganese(II). | ||
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| - | + | | **COORDINATION SPHERE** || | |
| - | | **Coordination Sphere** | **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | | + | | {{ :mm:parameters:manganese:non-parameterized_edpy2ww_.png?120 |}} | \\ **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | |
| - | | {{ :mm:parameters:manganese:non-parameterized_edpy2ww_.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/ed_py2_wawa.1375797867.txt.gz · Last modified: 2013/08/06 15:04 by ruineves
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