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.

Histidine

---

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.

Usage, Spectra, Infrared spectroscopy

---

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.

Similar abstracts:

• Abstracts: Transformation of pyridine to alpha-pyridyl on W(110) as probed by vibrational spectroscopy: experiments and calculations
• Abstracts: Hydrogen-bonding interactions at the vapor/water interface investigated by vibrational sum-frequency spectroscopy of HOD/H2O/D2O mixtures and molecular dynamics simulations
• Abstracts: Stability and migration of metal ions in G4-wires by molecular dynamics simulations. Stabilization of the noncomplementary guanine-adenine base pairs by Zn (II) ions, an ab initio SCF-MI study
• Abstracts: The low-temperature dynamic crossover phenomenon in protein hydration water: simulations vs experiments. Amphiphilic self-assemblies decorated by nucleobases
• Abstracts: Selective removal of metallic single-walled carbon nanotubes with small diameters by using nitric and sulfuric acids

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.