Ligand field regulation of manganese redox potential in MnSODs
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Ligand field analysis (in the AOM formalism) of Mn(ll, lll) in seven Mn SOD structures reported in the Brookhaven PDB show non-negligible differences in d-orbital energies. The results are equally affected by the azimuthal deformations of the coordination polyhedron, as well as by the orientations of the His imidazole rings with respect to the Mn-N bonds or of the Asp C700 fragment with resepct to the Mn-O bond, since both N and O ligators are behaving as anisotropic pi acceptors and donors, respectively. The orbital energies were used to gauge the ability of manganese to gain or loose an electron in an attempt to predict changes in the redox potential and to correlate these predictions with the data on the kinetics of dismutation recations. The resuls are used to explain our recent observation that E. coli Mn SOD exposed to nitric oxide (NO) in vitro catalyzes its dismutation.
Ključne reči:
MnSODs / Mn Redox Potential / Dismutation NO / Ligand field analysisIzvor:
Book of abstracts - 5th International Symposium on Applied Bioinorganic Chemistry (5ISABC), Corfu, Greece, 1999, 52-52Izdavač:
- Association of Greek Chemists
Finansiranje / projekti:
- Serbian Research Fund
Institucija/grupa
IHTMTY - CONF AU - Niketić, Svetozar AU - Niketić, Vesna AU - Stojanović, Srđan AU - Spasić, Mihajlo PY - 1999 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/6538 AB - Ligand field analysis (in the AOM formalism) of Mn(ll, lll) in seven Mn SOD structures reported in the Brookhaven PDB show non-negligible differences in d-orbital energies. The results are equally affected by the azimuthal deformations of the coordination polyhedron, as well as by the orientations of the His imidazole rings with respect to the Mn-N bonds or of the Asp C700 fragment with resepct to the Mn-O bond, since both N and O ligators are behaving as anisotropic pi acceptors and donors, respectively. The orbital energies were used to gauge the ability of manganese to gain or loose an electron in an attempt to predict changes in the redox potential and to correlate these predictions with the data on the kinetics of dismutation recations. The resuls are used to explain our recent observation that E. coli Mn SOD exposed to nitric oxide (NO) in vitro catalyzes its dismutation. PB - Association of Greek Chemists C3 - Book of abstracts - 5th International Symposium on Applied Bioinorganic Chemistry (5ISABC), Corfu, Greece T1 - Ligand field regulation of manganese redox potential in MnSODs SP - 52 EP - 52 UR - https://hdl.handle.net/21.15107/rcub_cer_6538 ER -
@conference{ author = "Niketić, Svetozar and Niketić, Vesna and Stojanović, Srđan and Spasić, Mihajlo", year = "1999", abstract = "Ligand field analysis (in the AOM formalism) of Mn(ll, lll) in seven Mn SOD structures reported in the Brookhaven PDB show non-negligible differences in d-orbital energies. The results are equally affected by the azimuthal deformations of the coordination polyhedron, as well as by the orientations of the His imidazole rings with respect to the Mn-N bonds or of the Asp C700 fragment with resepct to the Mn-O bond, since both N and O ligators are behaving as anisotropic pi acceptors and donors, respectively. The orbital energies were used to gauge the ability of manganese to gain or loose an electron in an attempt to predict changes in the redox potential and to correlate these predictions with the data on the kinetics of dismutation recations. The resuls are used to explain our recent observation that E. coli Mn SOD exposed to nitric oxide (NO) in vitro catalyzes its dismutation.", publisher = "Association of Greek Chemists", journal = "Book of abstracts - 5th International Symposium on Applied Bioinorganic Chemistry (5ISABC), Corfu, Greece", title = "Ligand field regulation of manganese redox potential in MnSODs", pages = "52-52", url = "https://hdl.handle.net/21.15107/rcub_cer_6538" }
Niketić, S., Niketić, V., Stojanović, S.,& Spasić, M.. (1999). Ligand field regulation of manganese redox potential in MnSODs. in Book of abstracts - 5th International Symposium on Applied Bioinorganic Chemistry (5ISABC), Corfu, Greece Association of Greek Chemists., 52-52. https://hdl.handle.net/21.15107/rcub_cer_6538
Niketić S, Niketić V, Stojanović S, Spasić M. Ligand field regulation of manganese redox potential in MnSODs. in Book of abstracts - 5th International Symposium on Applied Bioinorganic Chemistry (5ISABC), Corfu, Greece. 1999;:52-52. https://hdl.handle.net/21.15107/rcub_cer_6538 .
Niketić, Svetozar, Niketić, Vesna, Stojanović, Srđan, Spasić, Mihajlo, "Ligand field regulation of manganese redox potential in MnSODs" in Book of abstracts - 5th International Symposium on Applied Bioinorganic Chemistry (5ISABC), Corfu, Greece (1999):52-52, https://hdl.handle.net/21.15107/rcub_cer_6538 .