XProtCAS: A Toolkit for Extracting Conserved Accessible Surfaces from Protein Structures.

ABSTRACT: The identification of protein surfaces required for interaction with other biomolecules broadens our understanding of protein function, their regulation by post-translational modification, and the deleterious effect of disease mutations. Protein interaction interfaces are often identifiable as patches of conserved residues on a protein's surface. However, finding conserved accessible surfaces on folded regions requires an understanding of the protein structure to discriminate between functional and structural constraints on residue conservation. With the emergence of deep learning methods for protein structure prediction, high-quality structural models are now available for any protein. In this study, we introduce tools to identify conserved surfaces on AlphaFold2 structural models. We def

SUBMITTER: Kotb HM 

PROVIDER: S-EPMC10296640 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature