A Graph-Theoretic Model of Haemoglobin Domain

Abstract

In this work, we built a graph-theoretic model of the haemoglobin protein domain and subsequently examine the impact of single point mutations in the entire protein domain to ascertain how significantly the severe and mild mutations are from the wildtype mutation. We computed graph centralities measures and examined the impact of single point mutations in the β-chain of the haemoglobin by comparing the wildtype structure with six most common mutations in the domain. We visualized the impact of the virtual single point mutations by use of dendrogram. Our results showed that the severe mutation (E6V) is significantly different from the wild and mild mutations.