Randomness in Crystallization of Proteins from Staphylococcus aureus

Shaomin      Yan; Guang      Wu

Abstract

Of many factors affecting protein crystallization, randomness in proteins has been given less attention although highly structured proteins would be at low entropy state. The factors, which impact on protein crystallization, are almost exclusively related to non-random amino acid properties such as physiochemical properties of amino acids. In this study, we used logistic regression and neural network to model the success rate of crystallization of 420 proteins from Staphylococcus aureus with each of non-random and random amino acid properties in order to determine whether randomness in a protein plays a role in the crystallization process. The results show that randomness is indeed involved in the crystallization process, and this rationale would enrich our knowledge on crystallization process and enhance our ability to crystallize more important proteins.

Keywords: Modeling, Staphylococcus aureus, protein crystallization, randomness, entropy, physicochemical properties, amino acids, Plasmodium falciparum, TargetDB, secondary structures