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| Titel: |
Kinetic theory of ligand recombination of myoglobin: a model for a combination of entropic and enthalpic effects |
| Auteur: |
YANG, DAH-YEN SHEU, WEN-SHYAN SHEU, SHEH-YI LIN, S.H. |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 93 (1998) nr. 1 pagina's 159-172 |
| Jaar: |
1998-01-01 |
| Inhoud: |
A kinetic theory of ligand recombination of myoglobin is obtained through a microscopic model. The macroscopic time dependent rate constant is obtained by the first passage time distribution random walk method. When the ligand is outside the haem pocket, it diffuses in a continuum space. In this process, this rate corresponds to a Smoluchowski rate constant times the concentration of myoglobin. After penetrating through the hydration shell, the ligand waits in front of the gate or diffuses on the myoglobin surface for entering the gate. This waiting time refers to a large scale fluctuation of protein to open the gate. When the ligand is inside the pocket, the motion of the ligand ranges from a ballistic to a diffusive limit. To cover the whole range of friction, it is necessary to solve exactly a finite area random walk model with periodic gating in one- and two-dimensional finite lattices with slippery boundary conditions. Protein dynamics influence the ligand motion indirectly through the collision between the ligand and the heme pocket well. The first step corresponds to an adiabatic dissociation process. A branching diagram method is used to show a detailed pathway analysis of the adiabaticity by introducing intermediate states in the quintet states for the CO ligand binding. The rate theories of ligand recombination of myoglobin are a combination of entropic and enthalpic effects. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 8 van 20 gevonden artikelen
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