Conformation and Domain Movement Analysis of Human Matrix Metalloproteinase-2: Role of Associated Zn²⁺ and Ca²⁺ Ions.

ABSTRACT: Matrix metaloproteinase-2 (MMP-2) is an extracellular Zn²⁺ protease specific to type I and IV collagens. Its expression is associated with several inflammatory, degenerative, and malignant diseases. Conformational properties, domain movements, and interactions between MMP-2 and its associated metal ions were characterized using a 1.0 µs molecular dynamics simulation. Dihedral principle component analysis revealed ten families of conformations with the greatest degree of variability occurring in the link region connecting the catalytic and hemopexin domains. Dynamic cross-correlation analysis indicated domain movements corresponding to the opening and closing of the hemopexin domain in relation to the fibronectin and catalytic domains facilitated by the link region. Interaction e

SUBMITTER: Voit-Ostricki L 

PROVIDER: S-EPMC6747341 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature