AlphaFold Multimer modeling of human ALDH1A3 and ACSS2. Proteins visualized as a complex in surface model (left) and ribbon model (right). The binding sites of an aldehyde substrate (retinaldehyde) and co-factor (NAD+) were created by structural alignment of the AlphaFold-Monomer predicted structure to PDB:5fhz, a published tetramer ALDH1A3 structure. The ATP/CoA binding pocket of ACSS2 was visualized by structural alignment of AlphaFill-optimized protein-ligand complexes (ATP donor, PDB:5k8f. CoA donor, PDB:3gpc).
