Molecular transport into the outer membrane of gram-negative bacteria

Molecular dynamics beta-barrel assembly protein structure outer membrane

Lundquist, Karl Philip ; Gumbart, James C. Physics Sponberg, Simon Schmidt-Krey, Ingeborg Barry, Bridgette Noinaj, Nicholas ; Gumbart, James C.

University:Georgia Institute of Technology

Department:Physics

关键词: Molecular dynamics beta-barrel assembly protein structure outer membrane;   

Others  :  https://smartech.gatech.edu/bitstream/1853/62643/1/LUNDQUIST-DISSERTATION-2019.pdf

美国|英语

来源: SMARTech Repository

【 摘 要 】

This thesis details novel insights gleaned from the application of molecular dynamics (MD) simulations to two protein systems, the $\beta$-barrel assembly machinery (BAM), and the lipopolysaccharide transport machinery (LPT) involved in the transport of vital molecular components of the outer membrane of Gram-negative bacteria. Through the subsequent chapters we discuss the revelation of key insights into the function of these molecular machines. We reveal that the central member of the $\beta$-barrel assembly machinery requires a kinked C-terminal strand for proper function. We also describe differences in the extent of dynamics of the $\beta$-barrel assembly machinery dependent on the conformations state and presence of a key protein member. Finally, we highlight important features of the lipopolysaccharide transport machinery governing the proper transport of the foremost protective element of Gram-negative bacteria.