Fuzzy binding model of molecular interactions between tropoelastin and integrin alphaVbeta3.

ABSTRACT: Tropoelastin is the highly flexible monomer subunit of elastin, required for the resilience of the extracellular matrix in elastic tissues. To elicit biological signaling, multiple sites on tropoelastin bind to cell surface integrins in a poorly understood multifactorial process. We constructed a full atomistic molecular model of the interactions between tropoelastin and integrin α_vβ₃ using ensemble-based computational methodologies. Conformational changes of integrin α_vβ₃ associated with outside-in signaling were more frequently facilitated in an ensemble in which tropoelastin bound the integrin's α1 helix rather than the upstream canonical binding site. Our findings support a model of fuzzy binding, whereby many tropoelastin conformations and d

SUBMITTER: Ozsvar J 

PROVIDER: S-EPMC8390957 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature