Structural fluctuations of myoglobin from normal-modes, Mössbauer, Raman, and absorption spectroscopy

Biophysical Journal
B MelchersM Leone

Abstract

A normal-mode analysis of carbon monoxymyoglobin (MbCO) and deoxymyoglobin (Mb) with 170 water molecules is performed for (54)Fe and (57)Fe. A projection is defined that extracts iron out-of-plane vibrational modes and is used to calculate spectra that can be compared with those from resonance Raman scattering. The calculated spectra and the isotopic shift (57)Fe versus (54)Fe agree with the experimental data. At low temperatures the average mean square fluctuations (MSFs) of the protein backbone atoms agree with molecular dynamics simulation. Below 180 K the MSFs of the heme iron agree with the data from Mossbauer spectroscopy. The MSFs of the iron atom relative to the heme are an order of magnitude smaller than the total MSFs of the iron atom. They agree with the data from optical absorption spectroscopy. Thus the MSFs of the iron atom as measured by Mossbauer spectroscopy can be used to probe the overall motion of the heme within the protein matrix, whereas the Gaussian thermal line broadening of the Soret band and the resonance Raman bands can be used to detect local intramolecular iron-porphyrin motions.

Citations

Jun 8, 2007·European Biophysics Journal : EBJ·Valeria VetriMaurizio Leone
Dec 1, 2007·Journal of Biological Physics·Fritz G ParakMarius Schmidt
May 24, 2005·Biophysical Chemistry·Chiara CaronnaAntonio Cupane
May 2, 2002·Biochimica Et Biophysica Acta·Christiane Jung
Jun 30, 2006·The Journal of Physical Chemistry. B·Valeriia StarovoitovaStephen M Durbin
Jun 6, 1998·Proceedings of the National Academy of Sciences of the United States of America·V RéatG Zaccai
Nov 22, 2002·Proceedings of the National Academy of Sciences of the United States of America·P W FenimoreF G Parak
Aug 30, 2000·Proceedings of the National Academy of Sciences of the United States of America·V RéatJ C Smith
Oct 7, 2008·Biophysical Journal·Bogdan M LeuJ Timothy Sage
May 8, 2001·Annual Review of Biophysics and Biomolecular Structure·A G Palmer
Jan 6, 1999·Biophysical Journal·H LichteneggerG Vogl
Jun 1, 2001·Physical Review Letters·J T SageE E Alp
Jun 13, 2002·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·K AchterholdF G Parak
Aug 26, 1998·Nature·K Rajewsky
Aug 24, 1999·Nature·D G Schatz
Apr 27, 2011·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Derya Vural, Henry R Glyde
Mar 6, 2008·The Journal of Physical Chemistry. B·K L NgaiN Shinyashiki
Jul 21, 2006·The Journal of Physical Chemistry. B·Brajesh K RaiStephen M Durbin
Apr 5, 2012·The Journal of Physical Chemistry. B·Zheng YiJeremy C Smith
Nov 13, 2012·Journal of the American Chemical Society·Yinglong MiaoJeremy C Smith
Feb 9, 2019·The Journal of Physical Chemistry Letters·Letizia TavagnaccoEmanuela Zaccarelli
Jan 12, 2008·Journal of Pharmaceutical Sciences·Tim J Kamerzell, C Russell Middaugh
Dec 9, 2004·Journal of the American Chemical Society·Joseph E CurtisDouglas J Tobias
Feb 14, 2006·The Journal of Physical Chemistry. B·Kristl L AdamsCharles Schulz

❮ 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.