A quantitative model for oxygen uptake and release in a family of hemeproteins.

ABSTRACT:

Motivation

Hemeproteins have many diverse functions that largely depend on the rate at which they uptake or release small ligands, like oxygen. These proteins have been extensively studied using either simulations or experiments, albeit only qualitatively and one or two proteins at a time.

Results

We present a physical-chemical model, which uses data obtained exclusively from computer simulations, to describe the uptake and release of oxygen in a family of hemeproteins, called truncated hemoglobins (trHbs). Through a rigorous statistical analysis we demonstrate that our model successfully recaptures all the reported experimental oxygen association and dissociation kinetic rate constants, thus allowing us to establish the key factors that determine the rates at which these he

SUBMITTER: Bustamante JP 

PROVIDER: S-EPMC6280784 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature