Spectroscopic and computational insights into second-sphere amino-acid tuning of substrate analogue/active-site interactions in iron(III) superoxide dismutase.

Inorganic Chemistry
Laurie E GroveThomas C Brunold

Abstract

In this study, the mechanism by which second-sphere residues modulate the structural and electronic properties of substrate-analogue complexes of the Fe-dependent superoxide dismutase (FeSOD) has been explored. Both spectroscopic and computational methods were used to investigate the azide (N3(-)) adducts of Fe(3+)SOD (N3-Fe(3+)SOD) and its Q69E mutant, as well as Fe(3+)-substituted MnSOD (N3-Fe(3+)(Mn)SOD) and its Y34F mutant. Electronic absorption, circular dichroism, and magnetic circular dichroism spectroscopic data reveal that the energy of the dominant N3(-)-->Fe(3+) ligand-to-metal charge transfer (LMCT) transition decreases in the order N3-Fe(3+)(Mn)SOD>N3-Fe(3+)SOD>Q69E N3-Fe(3+)SOD. Intriguingly, the LMCT transition energies correlate almost linearly with the Fe(3+/2+) reduction potentials of the corresponding Fe(3+)-bound SOD species in the absence of azide, which span a range of approximately 1 V (see the preceding paper). To explore the origin of this correlation, combined quantum mechanics/molecular mechanics (QM/MM) geometry optimizations were performed on complete enzyme models. The INDO/S-CI computed electronic transition energies satisfactorily reproduce the experimental trend in LMCT transition energies, indi...Continue Reading

References

Aug 1, 1978·Archives of Biochemistry and Biophysics·H P Misra, I Fridovich
Mar 1, 1992·Journal of Molecular Graphics·L Laaksonen
Aug 31, 1987·FEBS Letters·M E SchininàA M Michelson
Jul 1, 1983·Proceedings of the National Academy of Sciences of the United States of America·W C StallingsM L Ludwig
Sep 15, 1996·The Biochemical Journal·H D YounS O Kang
Jun 26, 1998·Journal of Molecular Graphics & Modelling·D L BergmanA Laaksonen
Jun 15, 1986·Physical Review. B, Condensed Matter·J P Perdew
Apr 4, 2002·Journal of the American Chemical Society·Emine YikilmazAnne-Frances Miller
Apr 4, 2002·Journal of the American Chemical Society·Juan XieThomas C Brunold
Dec 12, 2002·Journal of the American Chemical Society·James MaliekalAnne-Frances Miller
Apr 6, 2004·Current Opinion in Chemical Biology·Anne-Frances Miller
Jun 2, 2004·Biochemistry·William B GreenleafDavid N Silverman
Jun 3, 2004·Proceedings of the National Academy of Sciences of the United States of America·Jochen WuergesKristina Djinovic Carugo
Jun 28, 2006·Journal of Computational Chemistry·Lubomír RulísekUlf Ryde
Jul 14, 2007·Journal of the American Chemical Society·Emine YikilmazAnne-Frances Miller

❮ Previous
Next ❯

Citations

Jul 14, 2010·Current Opinion in Structural Biology·Jonathan McMaster, Vasily S Oganesyan
May 11, 2010·Biochimica Et Biophysica Acta·Masaki OsawaB Yukihiro Hiraoka
Mar 22, 2012·Dalton Transactions : an International Journal of Inorganic Chemistry·Tibor András RokobLubomír Rulíšek
Feb 17, 2011·Faraday Discussions·Mark A SmithArwen R Pearson
Apr 2, 2014·Chemical Reviews·Yuewei ShengJoan Selverstone Valentine
Dec 18, 2012·Biochemistry·Ellen P BroeringTodd C Harrop
Aug 21, 2021·Inorganic Chemistry·Jérémy DomergueCarole Duboc

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.