mm:parameters:manganese:hdewawawa
Differences
This shows you the differences between two versions of the page.
|
mm:parameters:manganese:hdewawawa [2013/07/26 14:10] ruineves |
mm:parameters:manganese:hdewawawa [2013/10/03 18:54] (current) ruineves |
||
|---|---|---|---|
| Line 1: | Line 1: | ||
| ====== Manganese(II) - HDEWaWaWa ====== | ====== Manganese(II) - HDEWaWaWa ====== | ||
| + | ### | ||
| + | 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. | ||
| + | ### | ||
| - | + | | **COORDINATION SPHERE** || | |
| - | + | | {{ :mm:parameters:manganese:non-parameterized_hdewww_.png?120 |}} | \\ **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | | |
| - | | **Coordination Sphere** | **Oxidation State:** Mn(II) \\ **Spin Multiplicity:** 6 | | + | |
| - | | {{ :mm:parameters:manganese:non-parameterized_hdewww_.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.)) | | + | |
| Line 108: | Line 110: | ||
| | 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]]] | |
| Line 157: | Line 159: | ||
| ===== 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/hdewawawa.1374844207.txt.gz · Last modified: 2013/07/26 14:10 by ruineves
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Share Alike 3.0 Unported
