Molecular dynamics of JUNO-IZUMO1 complexation suggests biologically relevant mechanisms in fertilization.

ABSTRACT: JUNO-IZUMO1 binding is the first known physical link created between the sperm and egg membranes in fertilization, however, how this initiates sperm-egg fusion remains elusive. As advanced structural insights will help to combat the infertility crisis, or advance fertility control, we employed all-atom Molecular Dynamics (MD) to derive dynamic structural insights that are difficult to obtain experimentally. We found that the hydrated JUNO-IZUMO1 interface is composed of a large set of short-lived non-covalent interactions. The contact interface is destabilized by strategically located point mutations, as well as by Zn²⁺ ions, which shift IZUMO1 into the non-binding "boomerang" conformation. We hypothesize that the latter might explain how the transient zinc spark, as released af

SUBMITTER: Pacak P 

PROVIDER: S-EPMC10663542 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature