Ultrafast dynamics of myoglobin without the distal histidine: Stimulated vibrational echo experiments and molecular dynamics simulations
Article Abstract:
Ultrafast protein dynamics of the CO adduct of a myoglobin mutant with the polar distal histidine replaced by a nonpolar valine (H64V) are investigated by spectrally resolved infrared stimulated vibrational echo experiments and molecular dynamics (MD) simulations. It is observed that in aqueous solution at room temperature, the vibrational dephasing rate of CO in the mutant is reduced by approximately fifty percent relative to the native protein.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Structural assignments and dynamics of the A substrates of MbCO: spectrally resolved vibrational echo experiments and molecular dynamics simulations
Article Abstract:
Spectrally resolved three-pulse stimulated vibrational echo experiments are used as the basis for structure assignments of the A1 and A3 spectroscopic substates in the IR spectrum of the carbon monoxide (CO) stretch of carbonmonoxymyoglobin (MbCO). The measured dephasing dynamics of these substates is compared to the dephasing dynamics of MbCO predicted from molecular dynam ics (MD) simulations.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Free-energy barriers in MbCO rebinding
Article Abstract:
The rebinding of CO to myoglobin (Mb) from locations around the active site is studied using a combination of molecular dynamics and stochastic simulations for native and L29F mutant Mb. It is observed that in the case of L29F mutant, the free-energy surface is flatter and the dynamics is much more rapid.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
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