In Silico Modeling Indicates Positive Predictive Value for the Binding Capacity of Testis Specific ACTL7A and ACTL7B to HSA Domains of Classical Nucleosome Remodelers.
(A-C) Generated structural model of human PBAF nucleosome remodeling complex (PDB: 7VDV) bound to ACTL6A and ACTB (A), with interface map analysis of protein interactions through ChimeraX (B), and list of protein components (C). (D) Predicted alignment error heatmaps of the top dimeric interactions between ARP6, ACTB, ACTL6A, ACTL6B, ACTL7A, and ACTL7B with the isolated HSA domain of SRCAP, EP400, SMARCA2, and SMARCA4. On each alignment error heatmap red indicates poor to no predicted binding, while blue represents predictive values indicating excellent binding potential between protein residues. The presence of a clear blue vertical strip at the interaction quadrant of each HSA domain with each ARP (bottom left quadrant of each heatmap) indicates strong binding affinity between the two proteins at those residues, absence of a blue line corresponds to poor to no binding affinity. (E) Tabulated results of the interface predicted template modeling (ipTM) score of each ARP’s binding stability with each HSA domain from a scale of 0 to 1.0. An ipTM score of 0.7 or higher for a dimeric prediction is seen as very favorable and biologically relevant. (F) Linear HSA domain primary protein sequence maps with colored brackets indicating all stable predicted ARP interactions (those with an ipTM score higher than 0.7) between each modeled HSA domain and the select ARPs. Amino acid sequence residue numbers corresponding to the parent chromatin remodeling protein are indicated below each represented HSA domain.