Molecular Modelling of Type IV Major Pilin Protein PilA Variants
Title: Molecular Modelling of Type IV Major Pilin Protein PilA Variants
SNIC Project: SNIC 2021/22-620
Project Type: SNIC Small Compute
Principal Investigator: Esra Bozkurt <esra.bozkurt@dbb.su.se>
Affiliation: Stockholms universitet
Duration: 2021-08-18 – 2022-09-01
Classification: 10603
Keywords:

Abstract

Type IVa pili are ubiquitous and versatile bacterial cell surface filaments that undergo cycles of extension, adhesion and retraction. They represent significant mechanisms of environmental survival and pathogenesis. Since adhesion and twitching motility play important roles in pathogenicity, understanding structure/function relationships is vital for the development of innovative therapeutic strategies to combat infection. Here we will explore the structure of two different PilA proteins (13 and 10 kDa, as a monomer) using molecular dynamics simulations. Our results should provide detailed insights into the conformational behaviour of two distinct PilA variants.